data_1x4k_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 1x4k _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 ' 7' ' ' GLY . . . . . 0.416 ' C ' HD11 ' A' ' 15' ' ' ILE . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 25.4 t -88.36 162.42 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.8 mm-40 -106.56 -35.63 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 6.9 tm-20 -61.93 -72.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' LYS . 28.9 p -92.76 14.4 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 38.0 mmtt 36.8 47.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -111.3 162.75 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.8 m -75.9 109.52 9.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.421 HG12 ' CE1' ' A' ' 30' ' ' HIS . 48.4 mt -77.7 107.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mmt -58.21 150.65 51.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -9.97 27.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -46.17 6.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -75.08 160.97 29.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -85.95 143.03 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -134.93 159.04 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 mmm -109.62 104.6 13.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.11 116.11 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -136.72 110.05 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttm 63.9 44.15 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.03 -34.37 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 14.0 m -77.61 162.57 26.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -131.83 152.07 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 19.3 m-90 -138.43 127.56 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 18.5 m80 -48.08 138.68 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -38.41 -27.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' HIS . 82.1 p -97.53 -55.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.6 m -43.56 -21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 65.1 t80 -82.28 21.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -52.58 177.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.47 165.37 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 6.7 m-70 -100.99 -7.37 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -111.22 -53.84 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.8 -10.36 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.7 43.82 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -117.1 146.35 37.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 86.52 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.7 mt -51.14 -55.62 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.29 -116.66 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.8 p -119.7 86.56 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -160.63 173.52 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -53.62 100.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -144.21 144.51 31.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -99.27 104.7 28.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.81 117.76 5.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.2 tptt -83.96 153.75 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' LYS . 3.6 m-20 -32.99 -67.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.33 28.33 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.557 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 82.7 mt-30 -153.55 -178.21 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 6.6 m-20 -140.93 130.41 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -138.98 134.48 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.86 -177.33 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.631 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 12.3 t -66.02 -51.89 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.76 -27.62 26.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.3 m -80.22 -53.85 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 49' ' ' ILE . 25.4 t80 -53.83 -50.54 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -46.27 -44.69 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 7.2 t -78.36 162.47 26.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mp0 -109.55 -35.45 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.18 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -96.91 5.38 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 47.26 47.35 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -118.08 146.82 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.0 m -60.48 114.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.83 95.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.8 mmt -45.92 153.41 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.83 23.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.95 -53.66 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -57.03 153.9 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.166 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -88.93 124.63 34.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -119.25 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -113.85 108.6 17.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.35 114.2 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -136.67 121.42 18.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 59.67 30.82 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.62 -37.73 3.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.469 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.3 m -76.59 162.08 28.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -123.71 159.06 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 13.8 m-90 -142.95 128.3 18.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -50.46 149.15 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.34 -20.06 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -104.16 -14.17 15.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.8 m -90.5 -24.13 20.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 43.0 t80 -81.45 18.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -58.55 169.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.5 t -73.07 167.67 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 7.2 m-70 -101.84 -17.64 16.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.04 -56.98 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -88.65 -13.29 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 56.64 44.92 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -119.72 145.06 38.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PRO . 52.6 mt -37.65 -67.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.83 -87.16 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 56.7 p -132.03 -39.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -33.46 146.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.9 m -43.03 121.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -148.1 140.72 24.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.521 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -96.68 104.12 16.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.04 6.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 36.0 tptt -84.81 154.86 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.8 m-20 -33.06 -66.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -119.61 27.42 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.521 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 61.0 mt-30 -153.42 178.43 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.596 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -136.67 128.73 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.79 128.89 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.84 -176.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.63 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 9.8 t -65.63 -51.57 49.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.118 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.5 m -87.34 -59.93 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' HG22 ' A' ' 49' ' ' ILE . 44.9 t80 -49.67 -56.03 11.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -44.5 -44.42 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.1 t -78.73 162.4 26.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 4.1 mm100 -109.95 -34.82 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.85 -65.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.35 -4.93 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt 61.57 32.22 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.74 144.86 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.3 m -62.96 119.1 8.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.9 mt -83.83 125.31 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -74.24 152.97 88.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.75 31.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -79.2 156.28 28.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -88.29 124.05 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -110.56 168.59 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.2 mmm -114.3 108.78 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.54 114.71 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -138.41 116.65 11.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.18 37.51 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -40.79 3.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.426 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 m -76.52 162.27 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -124.18 158.62 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 12.6 m-90 -141.91 127.69 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' HG12 ' A' ' 15' ' ' ILE . 36.6 m80 -49.67 148.45 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.34 -17.51 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.8 p -106.91 -11.52 15.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.89 -24.02 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CZ ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 t80 -81.65 16.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -51.06 171.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.51 167.15 22.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m170 -102.25 -13.2 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -105.08 -54.69 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.38 -5.88 48.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 50.56 43.7 27.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -115.01 145.48 34.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 80.24 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.4 mt -41.29 -56.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 -113.22 4.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.3 p -119.87 85.78 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -163.17 156.59 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -41.47 105.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -144.33 142.08 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.72 105.99 30.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.77 120.14 6.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 13.9 tptm -86.69 153.62 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 5.8 m-20 -32.48 -67.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -120.84 28.82 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 86.9 mt-30 -153.86 176.05 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.526 ' ND2' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 m120 -134.49 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -138.25 133.94 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -65.56 -178.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.665 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.0 t -66.05 -50.1 53.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.73 -16.28 37.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.01 -53.72 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 49' ' ' ILE . 41.2 t80 -59.3 -50.32 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -52.55 -37.54 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.5 t -79.66 162.41 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.408 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mm-40 -107.34 -32.71 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -64.24 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.09 1.97 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 53.99 35.48 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.07 145.74 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.7 m -62.69 111.4 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' A' ' 30' ' ' HIS . 61.9 mt -72.29 102.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.0 mmt -56.12 154.27 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 169.58 18.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.78 -55.79 5.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 t -58.48 151.59 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -85.49 110.99 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -106.58 167.73 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mmm -109.85 115.17 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -93.6 116.84 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 62.2 t80 -137.32 118.15 14.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 3.6 mptt 55.46 46.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.43 -35.35 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.4 m -75.87 162.84 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 p -125.39 158.46 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 15.6 m-90 -144.55 123.42 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CE1' HG12 ' A' ' 15' ' ' ILE . 17.6 m80 -45.85 158.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -64.45 -19.21 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 p -108.61 -3.76 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 45.7 m -100.01 -22.83 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.26 25.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -62.3 166.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 11.1 t -70.74 167.27 19.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.1 m-70 -101.89 -14.05 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -103.42 -56.02 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.6 -10.74 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -114.33 144.25 31.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -44.82 -61.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.22 -110.32 3.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 p -125.1 84.48 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -162.11 164.6 27.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.4 p -42.42 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -148.09 143.72 27.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.7 mp -102.18 104.14 34.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.98 5.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 52' ' ' ASP . 4.0 tppt? -84.95 152.04 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' LYS . 31.7 m-20 -31.14 -68.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -119.36 29.07 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.421 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.7 mt-30 -152.84 -179.86 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.5 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.27 127.62 21.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.15 131.22 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.76 -175.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.631 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 7.0 t -66.2 -51.78 42.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 -26.92 26.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.2 m -81.91 -51.52 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 49' ' ' ILE . 55.1 t80 -54.35 -52.33 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.14 -46.54 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.37 163.24 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -109.99 -28.46 8.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 2.9 tp10 -67.84 -62.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -102.36 11.08 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 41.32 46.11 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 6.0 mtmp? -111.35 160.08 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.461 HG22 ' CE ' ' A' ' 16' ' ' MET . 59.4 m -75.48 107.48 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.444 HG12 ' CE1' ' A' ' 30' ' ' HIS . 27.4 mt -74.55 104.72 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.461 ' CE ' HG22 ' A' ' 14' ' ' THR . 32.5 mmt -54.02 147.87 23.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.72 14.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.28 9.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 t -85.03 156.16 21.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 6.0 mmm180 -89.35 120.11 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.6 pttm -105.64 168.75 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -112.51 104.82 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.36 114.07 24.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -138.33 124.64 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt 58.96 32.82 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.85 -38.42 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.553 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 59.3 m -76.87 162.19 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -126.36 155.32 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 16.9 m-90 -141.79 122.83 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CE1' HG12 ' A' ' 15' ' ' ILE . 20.8 m80 -45.87 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.21 -15.07 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.2 p -111.91 -7.2 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 32.7 m -95.92 -23.72 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -81.75 17.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.05 170.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.18 168.8 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.7 m-70 -102.89 -15.11 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -103.43 -54.93 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.35 -7.63 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 52.87 43.68 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -112.95 146.7 35.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 80.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -45.43 -55.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.74 -116.21 4.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.0 p -120.9 86.33 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -160.06 176.33 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -55.65 105.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.46 147.59 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.572 HG21 ' CE1' ' A' ' 61' ' ' TYR . 4.9 mp -102.29 104.03 34.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.3 Cg_endo -69.75 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.3 tptp -85.06 154.64 21.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.42 -67.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.32 27.52 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 75.1 mt-30 -152.93 179.44 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.494 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.7 m120 -140.06 130.16 24.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.71 134.43 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.4 -177.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.625 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 11.2 t -66.49 -51.78 39.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.76 -21.72 33.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.0 m -87.84 -56.92 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 49' ' ' ILE . 54.1 t80 -49.32 -34.7 16.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -56.02 -44.49 78.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.4 t -75.15 163.06 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 15.8 mm-40 -107.63 -34.73 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.73 -66.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.91 10.73 36.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.54 42.82 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -115.32 146.24 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -61.55 119.04 7.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.503 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.1 mt -80.99 96.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.6 mmt -47.77 150.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -17.64 37.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.85 41.23 2.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -165.62 157.45 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -94.42 120.02 34.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -109.6 170.37 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -113.03 109.62 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.89 117.32 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 2.7 t80 -137.41 112.28 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 26.7 mmtp 63.4 43.94 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 -39.13 2.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 50.8 m -76.02 158.16 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -122.16 155.66 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.4 m-90 -141.82 122.68 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.503 ' CE1' HG12 ' A' ' 15' ' ' ILE . 26.8 m80 -45.79 158.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.46 -22.97 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -104.55 -2.09 25.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 m -100.42 -26.37 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 48.6 t80 -81.88 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 pp -55.83 162.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 16.4 t -62.36 163.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.493 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 8.2 m-70 -96.41 -10.84 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -107.97 -63.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.87 -18.53 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER 64.15 42.09 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -114.93 145.27 33.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.79 79.77 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' PRO . 54.5 mt -37.88 -67.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.85 -123.72 7.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -118.2 41.68 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -112.44 172.64 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -54.07 111.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.94 149.48 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -104.89 104.24 45.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.708 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 119.72 6.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.8 tppt? -85.48 153.9 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -32.49 -67.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.71 28.19 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 64.4 mt-30 -153.75 -179.02 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.493 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.39 129.93 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -138.94 133.76 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.75 -174.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.645 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 13.7 t -66.74 -51.39 39.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.2 Cg_endo -69.8 -22.5 31.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.7 m -87.38 -52.58 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE2' HG22 ' A' ' 49' ' ' ILE . 58.0 t80 -53.33 -50.24 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -41.48 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.9 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 18.7 t -71.7 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.522 ' NE2' ' H ' ' A' ' 28' ' ' SER . 2.0 mp0 -110.0 -36.36 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -60.14 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 30.4 p -90.43 -11.53 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 62.55 43.39 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.02 138.55 51.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.2 m -49.56 117.9 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -83.64 114.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.3 mmt -66.72 152.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -13.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.22 -53.04 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -67.13 151.42 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -78.98 137.22 37.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -131.94 165.4 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 93.3 mmm -117.21 111.46 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -90.36 114.69 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -141.11 123.25 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.45 40.47 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.98 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.7 m -76.38 161.29 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.522 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 50.7 m -122.53 160.51 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 14.5 m-90 -144.28 126.67 15.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -49.94 160.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.84 -33.09 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 65.9 p -91.01 -21.98 21.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.1 m -82.56 -26.36 32.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 49.3 t80 -83.43 26.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -64.57 165.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.1 t -68.32 163.95 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 9.0 m-70 -99.68 -13.67 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -102.99 -59.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.12 -15.53 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 60.05 44.66 12.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -117.9 146.7 39.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 80.92 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -39.08 -63.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.22 -113.04 4.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -129.95 40.46 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -108.94 172.38 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -56.26 112.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -147.96 146.47 28.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -97.8 105.75 29.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.8 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.301 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.3 tppp? -86.0 151.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.9 m-20 -29.6 -67.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.465 ' ND2' ' HG3' ' A' ' 54' ' ' GLN . 1.7 p-10 -121.48 28.97 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HG3' ' ND2' ' A' ' 53' ' ' ASN . 35.4 mt-30 -152.46 175.4 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.414 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.6 m-80 -135.01 125.94 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.8 131.52 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.28 -177.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.659 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 22.2 t -65.79 -50.26 55.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -21.95 32.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.35 -58.49 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 49' ' ' ILE . 65.0 t80 -48.85 -52.46 24.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -44.58 -42.92 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 32.9 t -92.12 162.4 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.0 mp0 -109.96 -33.15 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.09 -70.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.66 -10.98 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 63.49 45.98 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -120.34 136.02 54.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.1 m -46.78 118.42 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.449 ' CG2' ' HD3' ' A' ' 21' ' ' LYS . 61.2 mt -84.93 106.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.8 mmt -53.84 155.94 5.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -48.98 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.35 43.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.2 t -67.74 154.08 42.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -94.28 142.79 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HD3' ' CG2' ' A' ' 15' ' ' ILE . 9.4 pttm -139.88 152.98 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.6 mmm -88.79 157.39 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -131.25 114.38 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 50' ' ' PRO . 42.1 t80 -141.43 148.19 39.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 15.7 mmmt 43.67 36.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.02 -37.46 2.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.9 m -76.34 150.9 36.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 m -108.01 156.6 19.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 10.9 m-90 -140.59 135.93 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.96 176.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.79 -26.32 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -110.71 15.78 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.5 m -113.28 -24.29 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.55 19.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 ' C ' HD11 ' A' ' 35' ' ' ILE . 2.8 pp -50.79 166.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -69.16 166.52 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.9 m-70 -99.22 -17.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -100.25 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 20.5 p -82.35 -18.31 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 62.17 44.12 8.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 39' ' ' CYS . 60.5 mt-30 -119.72 148.43 46.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 82.42 0.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -43.76 -56.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.41 -111.46 3.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -125.32 84.63 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -159.69 167.67 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 106.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.81 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.532 ' CG2' ' CD2' ' A' ' 61' ' ' TYR . 4.8 mp -99.46 105.3 32.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.652 0.739 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.76 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 16.6 tptp -84.41 154.7 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.58 -67.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 27.6 t-20 -119.29 27.82 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -152.8 175.19 13.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -135.53 124.42 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.71 134.19 42.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.37 -176.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.611 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 t -67.01 -52.54 30.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.5 Cg_endo -69.76 -16.75 37.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.17 -51.4 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.532 ' CD2' ' CG2' ' A' ' 49' ' ' ILE . 27.6 t80 -57.47 -42.83 83.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.45 -41.98 61.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 19.6 t -78.98 162.19 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 8.4 mm-40 -105.7 -38.47 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.61 -71.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -81.41 -13.39 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 60.69 46.24 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -113.94 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.413 HG22 ' CE ' ' A' ' 16' ' ' MET . 24.5 m -92.69 111.11 22.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -80.49 103.76 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.413 ' CE ' HG22 ' A' ' 14' ' ' THR . 33.2 mmt -54.25 146.17 32.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.62 7.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.14 -44.36 5.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 154.98 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -85.11 145.73 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -135.99 166.65 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.549 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 94.8 mmm -104.09 108.48 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.76 112.76 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.4 t80 -140.32 128.89 22.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 7.5 ttpp 53.31 42.97 32.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 -39.93 2.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.507 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 67.4 m -76.44 162.31 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -126.75 154.34 44.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 15.6 m-90 -137.27 127.91 26.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -44.61 152.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.87 -24.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' PHE . 7.1 p -101.57 -58.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.6 m -39.3 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CE2' ' HE3' ' A' ' 22' ' ' MET . 49.2 t80 -80.6 27.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.5 pp -57.4 -177.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.9 t -88.35 166.87 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 5.8 m-70 -100.83 -11.04 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -107.68 -55.39 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.5 p -91.71 -12.83 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 57.41 43.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -115.67 148.69 41.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 81.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.8 mt -46.27 -52.03 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.9 -121.62 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.7 p -115.4 87.09 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.68 173.03 16.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -53.65 102.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -145.69 144.87 30.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -98.31 104.59 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.55 5.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 9.8 tppt? -87.82 152.45 22.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.46 -67.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -119.78 28.77 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.53 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 49.1 mt-30 -153.47 176.59 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.493 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 23.6 m-20 -138.72 126.26 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -134.66 134.73 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.76 -177.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.659 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 24.8 t -65.68 -50.47 55.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.71 -25.27 29.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.7 m -84.61 -57.06 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 49' ' ' ILE . 59.6 t80 -51.73 -47.69 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.25 -41.45 65.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 16.8 t -71.42 162.36 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mp0 -107.49 -35.5 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 4.8 tp10 -60.37 -70.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.79 3.16 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 49.98 46.1 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.04 142.7 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -58.1 117.05 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.6 mt -78.34 96.63 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 29.0 mmt -43.39 147.32 0.77 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -16.83 37.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.52 43.38 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -161.56 151.91 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 3.7 ptm85 -82.35 134.31 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -126.33 166.88 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.0 mmm -114.4 115.04 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -89.71 117.45 28.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 4.6 t80 -132.84 103.3 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 13.9 mtpt 63.23 49.45 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.26 -36.65 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 69.0 m -75.8 156.23 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.7 p -120.48 155.21 34.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.9 m-90 -142.18 124.83 15.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.8 m80 -44.78 141.35 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.7 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' HIS . 35.1 p -100.92 -55.71 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 62.0 m -41.7 -23.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 48.8 t80 -81.47 21.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -52.89 177.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.435 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.8 t -80.48 165.12 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.5 m-70 -97.08 -10.93 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -109.37 -63.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.1 -7.9 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 51.8 44.7 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -118.47 147.67 42.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.57 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' CD2' ' A' ' 48' ' ' PHE . 54.6 mt -46.61 -64.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.25 -92.56 1.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 18.1 p -122.6 -32.23 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' THR . 10.1 mtmm -33.3 127.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.8 m -48.3 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD2' HG22 ' A' ' 43' ' ' ILE . 34.4 p90 -117.33 154.79 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.571 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.3 mp -96.06 105.84 24.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.3 tptm -86.34 154.3 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' LYS . 38.7 m-20 -32.96 -67.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.417 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 33.0 m120 -119.47 27.82 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 37.1 mt-30 -155.28 176.45 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.504 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -137.56 133.29 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.18 36.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -69.63 -176.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.661 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 40.6 t -66.91 -50.22 44.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.148 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -16.17 37.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.28 -55.19 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' HG22 ' A' ' 49' ' ' ILE . 60.8 t80 -53.35 -54.1 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -49.3 162.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 7.0 mm-40 -109.11 -34.5 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 tm-20 -61.96 -71.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.56 -12.4 45.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.32 43.42 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -115.71 135.36 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.4 m -49.51 112.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -77.42 109.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.6 mmt -61.08 154.79 59.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.07 32.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.03 47.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -169.66 156.33 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -93.19 105.5 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 7.2 ptpp? -95.63 168.95 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -114.49 102.67 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -91.27 120.79 32.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 9.8 t80 -141.44 117.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 39.9 mmtt 60.5 41.43 15.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.12 -30.58 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m -77.41 161.87 27.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -130.95 154.13 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -143.5 125.75 15.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -47.98 149.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.47 -20.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' PHE . 12.4 p -107.9 -53.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 52.2 m -39.96 -24.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . 19.2 t80 -82.24 26.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.8 pp -61.31 172.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 11.1 t -75.39 165.87 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.4 m-70 -99.37 -11.82 20.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 6.5 ttt-85 -107.43 -58.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -87.74 -9.59 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER 54.38 43.35 30.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -117.33 147.05 39.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 88.34 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.4 mt -42.84 -71.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.65 -95.45 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' LYS . 36.8 p -125.5 -23.88 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.145 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.9 mmmt -33.95 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.475 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 1.8 m -70.26 74.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -87.77 164.98 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.573 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -108.22 105.12 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.6 Cg_endo -69.78 118.32 5.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.304 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.7 ttmm -86.04 154.82 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.37 -69.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -118.78 26.55 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' LYS . 52.8 mt-30 -153.09 174.91 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.457 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.6 OUTLIER -134.94 138.24 43.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -144.67 139.02 27.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.01 -176.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.667 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 23.6 t -66.12 -50.07 52.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.76 -28.81 24.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.61 -48.37 12.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 49' ' ' ILE . 44.1 t80 -59.05 -32.58 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.85 -41.95 99.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.8 t -64.61 161.17 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mm100 -109.49 -34.64 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.31 -69.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.69 -12.12 43.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 60.54 45.5 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -116.37 134.65 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 m -47.54 113.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.6 mt -79.23 117.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.6 mmt -68.59 154.58 94.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.25 36.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.05 53.69 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -82.5 157.57 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.7 141.03 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -124.33 167.29 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -111.41 102.97 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.36 112.27 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -140.25 122.72 16.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 40.03 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.09 -39.34 2.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.554 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 63.5 m -76.48 162.11 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 m -126.75 154.96 43.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 22.1 m-90 -141.01 124.72 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.1 m80 -45.82 145.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -44.08 -22.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' PHE . 14.0 p -103.7 -55.98 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 55.2 m -40.67 -23.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' THR . 37.8 t80 -81.34 24.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.6 pp -54.86 178.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.431 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 8.0 t -84.08 169.03 15.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 3.9 m-70 -102.79 -14.27 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -105.54 -52.79 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.3 p -93.9 -12.28 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.78 43.51 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -114.5 147.92 39.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.99 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.7 mt -47.73 -60.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.28 -108.97 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -132.14 41.5 3.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 43.1 pttt -112.15 153.77 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' LYS . 42.6 m -35.1 106.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -147.14 149.21 32.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 61' ' ' TYR . 5.3 mp -103.5 104.85 44.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.79 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -84.88 150.39 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.502 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 46.3 m-20 -30.34 -69.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -117.06 30.58 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.434 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 26.2 mt-30 -156.42 178.32 10.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.414 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.4 m120 -137.77 132.41 32.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -141.6 134.83 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.32 -177.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.665 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 26.9 t -65.71 -50.04 57.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.81 -19.3 36.04 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.282 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.7 m -92.58 -62.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 49' ' ' ILE . 71.2 t80 -43.64 -38.9 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' OE1' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.89 -38.45 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 9.2 mmmm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.405 ' N ' HG13 ' A' ' 15' ' ' ILE . 54.0 t -77.81 163.16 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.456 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 2.6 mp0 -110.91 -30.3 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.8 tm-20 -65.26 -60.48 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.28 2.53 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.72 40.1 29.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -111.07 140.2 45.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -54.54 114.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 8' ' ' CYS . 56.6 mt -78.16 96.44 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.5 mmt -46.79 145.27 3.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.548 0.69 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.06 55.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 t -169.95 159.71 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.157 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -84.87 113.18 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -113.45 169.21 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.9 mmm -117.33 112.34 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.98 112.33 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 50' ' ' PRO . 10.2 t80 -133.97 115.19 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt 63.45 42.7 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.0 -39.22 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 16.9 m -76.23 152.17 36.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.451 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 9.6 p -117.04 157.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.2 m-90 -143.22 134.23 25.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -56.78 157.71 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.62 -27.07 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.1 p -97.29 -15.04 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 65.5 m -90.84 -26.13 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' OD1' ' A' ' 55' ' ' ASN . 48.0 t80 -81.79 27.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -65.18 168.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.3 t -73.52 166.75 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.495 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 18.7 m-70 -104.08 -15.45 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -98.68 -53.07 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.9 p -94.64 -15.0 24.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 59.75 43.55 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -118.9 146.48 40.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 79.89 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -38.51 -66.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.82 -112.12 3.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 p -122.28 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.53 170.96 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.7 p -52.32 104.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -147.53 147.69 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -105.24 109.13 62.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.7 Cg_endo -69.83 120.2 7.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.3 tptm -89.12 151.83 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' LYS . 13.5 m-20 -30.64 -67.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.03 28.96 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 93.5 mt-30 -152.64 176.48 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' A' ' 34' ' ' PHE . 1.3 m-80 -134.74 122.53 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.57 130.87 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.34 -176.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.624 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 t -66.91 -52.22 33.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -16.2 37.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.1 m -92.66 -53.75 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 49' ' ' ILE . 57.8 t80 -59.03 -44.84 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.7 t -78.61 161.99 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.4 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -106.67 -34.08 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 11.0 tp10 -64.37 -70.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -84.15 -13.1 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 62.9 42.41 7.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -115.8 137.23 52.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -51.02 111.67 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -76.94 115.76 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.9 mmt -67.03 151.17 97.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.547 0.689 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -12.11 32.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.83 -39.31 21.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -88.8 157.03 18.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 155.36 24.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -146.26 165.89 27.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.457 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.5 mmm -116.69 105.18 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.91 115.01 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.39 115.02 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp 63.62 47.72 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.7 -45.53 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.8 m -76.15 162.26 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.5 ' C ' ' CE3' ' A' ' 29' ' ' TRP . 3.0 t -127.68 168.21 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CE3' ' C ' ' A' ' 28' ' ' SER . 11.3 m-90 -144.78 127.14 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.2 m80 -47.47 145.21 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -39.9 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' PHE . 20.8 p -102.62 -55.83 2.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 54.4 m -40.42 -24.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 35.5 t80 -82.07 21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.5 pp -50.15 -176.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 11.4 t -88.29 166.78 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 4.0 m-70 -99.9 -9.8 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -109.29 -58.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -88.83 -9.97 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 54.66 44.75 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -116.31 149.04 42.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.1 mt -48.36 -63.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.99 -115.61 5.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -129.54 41.63 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.6 pttp -112.17 155.14 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' LYS . 13.7 m -35.38 109.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -148.14 145.94 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.558 HG22 ' CE1' ' A' ' 61' ' ' TYR . 5.0 mp -97.69 103.45 16.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.9 tptp -85.02 154.69 21.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -33.19 -66.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.71 27.54 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 34.3 mt-30 -151.05 178.26 9.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.557 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -138.07 127.35 24.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -135.28 134.7 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -65.89 -177.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.661 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.3 t -65.4 -50.15 59.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -23.79 30.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -86.08 -59.46 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE1' HG22 ' A' ' 49' ' ' ILE . 62.1 t80 -52.3 -51.52 58.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -47.62 -42.49 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 mttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 10.4 t -74.48 162.48 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 mm100 -110.4 -34.37 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.76 -66.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -95.59 -4.69 44.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 61.17 34.96 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -104.25 144.18 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -58.13 121.82 11.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.0 mt -84.74 106.74 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.8 mmt -58.98 152.34 50.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.42 37.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.35 58.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -173.83 153.76 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -91.42 115.02 27.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.47 171.55 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -113.31 104.87 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -84.86 115.77 22.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -141.22 119.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm 60.73 44.49 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.22 -42.76 2.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.473 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 73.3 m -76.37 157.47 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -122.4 160.83 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 12.0 m-90 -141.17 127.44 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 31.5 m80 -50.59 154.14 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.19 -24.47 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -102.39 1.17 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -104.84 -27.51 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -80.97 14.34 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 pp -47.43 175.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.4 t -77.69 166.32 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.449 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.8 m-70 -99.77 -13.83 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -105.62 -58.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -87.66 -8.8 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 52.76 44.3 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -117.47 147.57 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 68.7 mt -39.49 -61.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.01 -116.47 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.5 p -127.76 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -111.32 168.3 9.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 m -52.62 108.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -143.34 144.11 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 61' ' ' TYR . 4.1 mp -96.92 103.43 14.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.8 121.8 8.47 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.349 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.0 ttmt -91.22 155.28 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 51' ' ' LYS . 33.3 m-20 -31.12 -70.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 1.5 m120 -119.12 28.1 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -151.66 169.28 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -134.04 125.7 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.78 135.38 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.12 -175.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.661 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.0 t -66.69 -50.34 45.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.641 0.734 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.75 -21.49 33.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -89.81 -41.82 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 49' ' ' ILE . 49.3 t80 -68.8 -51.05 44.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.54 -33.21 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.7 t -88.11 162.05 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -109.91 -34.43 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.53 -68.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -89.03 -14.63 36.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 63.93 44.94 4.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 134.28 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' CE ' ' A' ' 16' ' ' MET . 86.3 m -43.74 116.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -83.21 99.04 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.401 ' CE ' HG23 ' A' ' 14' ' ' THR . 33.6 mmt -43.92 149.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -10.75 29.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 -55.75 3.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -68.98 151.68 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -83.02 148.84 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 15.1 pttm -131.2 171.94 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.402 ' HG3' ' CG ' ' A' ' 34' ' ' PHE . 99.8 mmm -117.48 102.84 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.3 115.28 22.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.98 110.73 8.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttp 63.09 43.19 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.16 -36.8 3.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 26.0 m -75.96 162.51 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.902 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -132.17 159.47 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.6 m-90 -143.89 130.48 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' THR . 4.1 m80 -51.87 143.11 13.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -43.54 -22.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 6.8 p -102.96 -41.07 6.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.6 -20.21 45.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 40.1 t80 -84.23 26.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 32' ' ' THR . 2.8 pp -59.87 177.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 13.1 t -81.37 166.68 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.478 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -99.99 -16.78 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -100.42 -61.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.8 -16.93 39.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 61.63 44.44 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -117.76 149.14 44.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.238 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.2 mt -50.91 -64.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.11 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -130.25 41.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 170.38 8.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 108.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -148.32 145.4 28.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.575 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -97.41 103.71 17.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.79 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.1 tptm -83.48 152.71 24.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 7.1 m-20 -31.23 -67.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 39.5 t30 -121.11 28.53 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.424 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 45.9 mt-30 -153.26 177.48 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.478 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 m120 -135.6 133.78 38.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -142.58 131.26 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.38 -177.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.669 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.4 t -65.94 -49.9 55.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.72 -25.68 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.29 -54.59 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' HG22 ' A' ' 49' ' ' ILE . 78.1 t80 -55.48 -52.29 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.52 -45.08 13.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -51.6 162.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 13.6 mm-40 -107.6 -34.58 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 17.2 tp10 -64.67 -70.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.8 p -84.46 -16.34 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 66.54 39.2 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -110.82 136.25 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 m -51.53 109.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -75.0 117.94 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.06 154.01 90.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.71 10.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.83 -67.99 1.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -55.06 155.29 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -91.8 109.3 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -92.8 170.37 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.3 mmm -117.44 108.09 15.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -87.45 116.09 25.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -140.03 118.79 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt 61.36 35.69 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.32 -33.78 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 35.0 m -76.4 159.17 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.872 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -122.2 152.06 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 17.2 m-90 -142.7 125.09 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.2 m80 -48.22 147.39 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.7 -22.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' PHE . 20.7 p -105.27 -54.6 2.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 58.8 m -41.87 -22.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 27.1 t80 -82.0 24.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -59.56 174.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 15.6 t -79.0 164.97 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.447 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -96.66 -10.91 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -108.94 -63.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.83 -9.32 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 52.67 45.27 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.37 147.81 46.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 85.69 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.8 mt -42.48 -69.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.5 -86.54 0.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 46' ' ' LYS . 30.5 p -127.66 -34.21 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.0 mttm -33.46 128.58 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.0 m -48.83 112.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -124.61 162.02 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 61' ' ' TYR . 4.0 mp -102.92 106.21 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.6 tptt -86.37 154.6 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -32.55 -66.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -121.04 27.81 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.68 -179.88 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.447 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -140.69 137.95 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -145.03 141.13 28.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -71.25 -177.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.662 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 54.5 t -66.75 -49.66 48.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -13.65 34.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.7 m -97.87 -61.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 49' ' ' ILE . 50.5 t80 -43.95 -35.54 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.74 -43.17 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 40.6 t -86.82 162.34 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -108.45 -33.27 7.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 3.2 tp10 -61.38 -68.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.43 4.44 53.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 50.53 42.29 26.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -112.46 144.95 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.41 HG23 ' CE ' ' A' ' 16' ' ' MET . 85.3 m -58.52 117.65 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -79.83 95.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.41 ' CE ' HG23 ' A' ' 14' ' ' THR . 33.1 mmt -43.56 148.8 0.66 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.86 34.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.0 57.7 4.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -175.0 160.84 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -96.57 117.62 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -104.35 169.36 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 99.5 mmm -112.83 102.8 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -86.99 114.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.7 115.22 13.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.4 40.98 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.24 -37.8 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 48.8 m -76.39 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -127.86 158.28 38.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.0 m-90 -143.52 131.2 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.4 m80 -49.75 141.69 9.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -40.31 -25.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 34' ' ' PHE . 34.7 p -100.43 -58.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.4 m -39.43 -24.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' THR . 33.3 t80 -80.92 31.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -66.51 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.25 162.22 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -96.88 -8.41 30.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -108.67 -63.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.33 -12.31 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 58.19 43.36 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -120.11 148.91 48.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 87.77 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.7 mt -41.56 -69.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.37 -116.7 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -126.36 37.96 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -92.38 178.57 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -78.72 60.48 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -86.92 145.53 26.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 61' ' ' TYR . 3.3 mp -95.88 104.15 15.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tppp? -77.69 154.62 31.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 15.0 m-20 -33.49 -67.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -118.32 27.6 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 43.3 mt-30 -154.48 178.95 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -132.24 149.28 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -157.08 136.71 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.22 -175.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.636 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 20.4 t -66.55 -51.62 40.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.78 -21.98 32.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.0 m -86.09 -52.53 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HG23 ' A' ' 49' ' ' ILE . 58.1 t80 -55.92 -52.38 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -50.11 -42.05 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.409 ' N ' HG13 ' A' ' 15' ' ' ILE . 41.0 t -65.94 162.26 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 16.0 mm-40 -107.19 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -61.94 -72.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.51 -11.32 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.46 46.74 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -118.84 134.46 55.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.4 m -46.96 111.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 8' ' ' CYS . 65.9 mt -74.99 120.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.9 mmt -75.49 152.91 85.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.902 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -11.23 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.77 39.31 3.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 t -167.84 151.46 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -87.34 120.62 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -107.61 162.29 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.512 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 95.0 mmm -103.49 105.08 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.46 113.57 21.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -139.25 115.23 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttt 63.78 39.54 8.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.36 -30.24 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 46.7 m -81.79 162.28 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.9 m -128.28 156.2 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.3 m-90 -142.52 126.28 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.6 m80 -46.49 141.76 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -39.05 -26.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 34' ' ' PHE . 34.7 p -99.01 -59.13 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.3 m -39.84 -23.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 32.7 t80 -81.25 23.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.1 pp -49.24 -178.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.78 166.56 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 5.0 m-70 -100.18 -7.35 24.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -112.6 -54.81 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.04 -4.14 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 49.3 43.82 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -112.68 146.74 35.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.71 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.7 mt -46.66 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.45 -112.25 4.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -132.77 41.78 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 171.77 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -51.15 107.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -146.03 143.82 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.525 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -96.22 103.96 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.45 5.69 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 16.1 tppt? -83.72 154.37 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 42.9 m-20 -33.44 -67.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -119.21 27.46 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.535 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 67.1 mt-30 -152.04 -178.59 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . 0.493 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 2.8 m120 -141.18 124.65 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.08 135.17 45.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.45 -176.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.618 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.7 t -67.25 -52.62 28.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -17.47 37.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.617 2.211 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.45 -49.01 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CE2' HG21 ' A' ' 49' ' ' ILE . 53.2 t80 -58.71 -32.24 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.61 -30.86 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 11.5 t -79.95 162.82 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 14.0 mm-40 -109.85 -34.74 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -59.47 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.26 11.15 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 43.39 46.82 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 147.74 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.438 HG21 ' CE ' ' A' ' 16' ' ' MET . 86.3 m -62.87 110.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . 0.438 HG12 ' CD2' ' A' ' 30' ' ' HIS . 65.9 mt -78.79 110.93 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' MET . . . . . 0.438 ' CE ' HG21 ' A' ' 14' ' ' THR . 34.6 mmt -59.9 154.7 47.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.67 5.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -82.64 154.85 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -86.88 145.92 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -134.01 164.21 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' MET . . . . . 0.515 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 82.4 mmm -108.33 107.17 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.35 111.79 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t80 -137.48 124.01 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 29.6 mtpt 57.02 42.69 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.98 -39.14 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 59.0 m -76.6 158.77 30.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 13.7 m-90 -144.01 133.64 23.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' THR . 15.6 m80 -52.26 140.14 22.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' HIS . 9.3 pt-20 -35.53 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' PHE . 41.2 p -94.71 -57.68 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.7 m -39.95 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 35.7 t80 -80.84 29.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -65.94 170.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' CYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 16.9 t -72.98 165.59 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -99.87 -16.86 17.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 -100.25 -61.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -84.39 -16.94 40.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 61.76 44.26 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -119.45 146.86 42.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.26 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.01 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.53 -110.77 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 40.11 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.157 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 161.65 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -42.38 109.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -148.02 146.61 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' A' ' 61' ' ' TYR . 5.1 mp -100.71 103.54 25.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.73 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -87.91 150.89 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' LYS . 10.9 m-20 -30.45 -70.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.421 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 35.6 t30 -117.37 30.51 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLN . . . . . 0.426 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 37.2 mt-30 -156.39 175.63 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -138.27 130.7 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.82 132.13 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.92 -177.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.671 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.8 t -66.29 -49.77 52.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.76 -17.42 37.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.47 -54.5 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' A' ' 49' ' ' ILE . 39.8 t80 -52.5 -51.34 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.54 -44.31 25.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -92.8 -60.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -49.5 -45.52 47.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 101.37 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -83.54 37.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 p -121.46 161.93 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.416 ' C ' HD11 ' A' ' 15' ' ' ILE . . . -164.24 151.27 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.453 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 25.4 t -88.36 162.42 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.8 mm-40 -106.56 -35.63 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 6.9 tm-20 -61.93 -72.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' LYS . 28.9 p -92.76 14.4 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 38.0 mmtt 36.8 47.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -111.3 162.75 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.8 m -75.9 109.52 9.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.421 HG12 ' CE1' ' A' ' 30' ' ' HIS . 48.4 mt -77.7 107.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mmt -58.21 150.65 51.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -9.97 27.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -46.17 6.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -75.08 160.97 29.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -85.95 143.03 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.3 pttm -134.93 159.04 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 mmm -109.62 104.6 13.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.11 116.11 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -136.72 110.05 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttm 63.9 44.15 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.03 -34.37 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 14.0 m -77.61 162.57 26.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -131.83 152.07 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 19.3 m-90 -138.43 127.56 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 18.5 m80 -48.08 138.68 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -38.41 -27.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.486 ' N ' ' O ' ' A' ' 30' ' ' HIS . 82.1 p -97.53 -55.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.46 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.6 m -43.56 -21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 65.1 t80 -82.28 21.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.429 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -52.58 177.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.429 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.47 165.37 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.557 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 6.7 m-70 -100.99 -7.37 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -111.22 -53.84 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.8 -10.36 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.7 43.82 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -117.1 146.35 37.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 86.52 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 28.7 mt -51.14 -55.62 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.29 -116.66 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.8 p -119.7 86.56 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -160.63 173.52 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -53.62 100.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.7 p90 -144.21 144.51 31.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -99.27 104.7 28.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.81 117.76 5.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.2 tptt -83.96 153.75 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' LYS . 3.6 m-20 -32.99 -67.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.33 28.33 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.557 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 82.7 mt-30 -153.55 -178.21 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 6.6 m-20 -140.93 130.41 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -138.98 134.48 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.86 -177.33 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.631 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 12.3 t -66.02 -51.89 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.76 -27.62 26.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.3 m -80.22 -53.85 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 49' ' ' ILE . 25.4 t80 -53.83 -50.54 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.567 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 31.1 mm-40 -46.27 -44.69 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -57.89 -39.25 77.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.92 -41.39 95.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.567 ' CD2' ' HA ' ' A' ' 62' ' ' GLU . 7.6 p80 -110.99 42.44 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.487 ' CB ' ' O ' ' A' ' 62' ' ' GLU . . . -126.07 156.29 40.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ALA . 6.4 t -34.59 99.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 82.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.3 25.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.336 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 m -88.32 119.23 28.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -160.47 122.12 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.518 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -72.8 116.16 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -85.82 136.12 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.3 158.89 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -139.57 136.61 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.375 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 34.4 m -125.74 112.71 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.25 156.85 15.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 7.2 t -78.36 162.47 26.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mp0 -109.55 -35.45 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.18 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -96.91 5.38 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 47.26 47.35 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -118.08 146.82 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.0 m -60.48 114.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.83 95.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.8 mmt -45.92 153.41 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.83 23.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.95 -53.66 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -57.03 153.9 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.166 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -88.93 124.63 34.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' NZ ' ' CB ' ' A' ' 6' ' ' SER . 48.7 pttt -119.25 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -113.85 108.6 17.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.35 114.2 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -136.67 121.42 18.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 59.67 30.82 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.62 -37.73 3.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.469 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.3 m -76.59 162.08 28.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -123.71 159.06 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.475 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 13.8 m-90 -142.95 128.3 18.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -50.46 149.15 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.34 -20.06 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.6 p -104.16 -14.17 15.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.8 m -90.5 -24.13 20.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 43.0 t80 -81.45 18.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -58.55 169.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.5 t -73.07 167.67 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.521 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 7.2 m-70 -101.84 -17.64 16.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.04 -56.98 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -88.65 -13.29 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 56.64 44.92 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -119.72 145.06 38.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.404 ' C ' ' O ' ' A' ' 42' ' ' PRO . 52.6 mt -37.65 -67.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.83 -87.16 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 56.7 p -132.03 -39.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 45' ' ' THR . 0.1 OUTLIER -33.46 146.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.9 m -43.03 121.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 9.1 p90 -148.1 140.72 24.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.521 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -96.68 104.12 16.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.04 6.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 36.0 tptt -84.81 154.86 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.8 m-20 -33.06 -66.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -119.61 27.42 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.521 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 61.0 mt-30 -153.42 178.43 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.596 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -136.67 128.73 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.79 128.89 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.84 -176.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.63 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 9.8 t -65.63 -51.57 49.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.118 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.5 m -87.34 -59.93 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.521 ' CE2' HG22 ' A' ' 49' ' ' ILE . 44.9 t80 -49.67 -56.03 11.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -44.5 -44.42 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -60.47 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.7 -54.81 28.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -59.48 -45.61 91.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.78 83.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -38.42 122.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.73 -65.97 1.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.58 35.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.1 p -88.19 -46.78 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -80.04 177.06 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.517 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -172.87 135.59 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -107.27 149.56 27.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.85 98.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 p -89.45 -51.03 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -92.95 81.52 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.57 154.41 19.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.1 t -78.73 162.4 26.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 4.1 mm100 -109.95 -34.82 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.85 -65.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.35 -4.93 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt 61.57 32.22 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.74 144.86 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.3 m -62.96 119.1 8.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.565 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.9 mt -83.83 125.31 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -74.24 152.97 88.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.75 31.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -79.2 156.28 28.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -88.29 124.05 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.4 pttp -110.56 168.59 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.2 mmm -114.3 108.78 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.54 114.71 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -138.41 116.65 11.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.18 37.51 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -40.79 3.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.426 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 m -76.52 162.27 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -124.18 158.62 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 12.6 m-90 -141.91 127.69 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' HG12 ' A' ' 15' ' ' ILE . 36.6 m80 -49.67 148.45 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.34 -17.51 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 65.8 p -106.91 -11.52 15.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.89 -24.02 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CZ ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 t80 -81.65 16.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -51.06 171.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -74.51 167.15 22.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.512 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m170 -102.25 -13.2 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -105.08 -54.69 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.38 -5.88 48.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 50.56 43.7 27.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -115.01 145.48 34.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 80.24 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.4 mt -41.29 -56.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 -113.22 4.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.3 p -119.87 85.78 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -163.17 156.59 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -41.47 105.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -144.33 142.08 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.72 105.99 30.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.77 120.14 6.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.48 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 13.9 tptm -86.69 153.62 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.48 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 5.8 m-20 -32.48 -67.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -120.84 28.82 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.512 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 86.9 mt-30 -153.86 176.05 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.526 ' ND2' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 m120 -134.49 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 98.2 m-85 -138.25 133.94 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -65.56 -178.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.665 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.0 t -66.05 -50.1 53.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.73 -16.28 37.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.01 -53.72 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 49' ' ' ILE . 41.2 t80 -59.3 -50.32 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -52.55 -37.54 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -67.54 -62.75 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.484 ' NE2' ' CD1' ' A' ' 56' ' ' PHE . 7.3 pt20 -56.72 -25.28 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.3 -48.57 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.94 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 t -126.73 115.54 19.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.28 -75.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 174.54 9.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -115.94 82.0 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -73.05 121.72 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -100.04 42.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -156.54 143.11 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.26 163.82 27.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 t -79.66 123.81 27.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -90.49 -73.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.03 144.54 5.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.5 t -79.66 162.41 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mm-40 -107.34 -32.71 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -64.24 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.09 1.97 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 53.99 35.48 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.07 145.74 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.7 m -62.69 111.4 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.462 HG12 ' CE1' ' A' ' 30' ' ' HIS . 61.9 mt -72.29 102.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.0 mmt -56.12 154.27 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 169.58 18.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.78 -55.79 5.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.9 t -58.48 151.59 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -85.49 110.99 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -106.58 167.73 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 78.7 mmm -109.85 115.17 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -93.6 116.84 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.572 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 62.2 t80 -137.32 118.15 14.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 3.6 mptt 55.46 46.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.43 -35.35 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.4 m -75.87 162.84 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.8 p -125.39 158.46 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 15.6 m-90 -144.55 123.42 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.462 ' CE1' HG12 ' A' ' 15' ' ' ILE . 17.6 m80 -45.85 158.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -64.45 -19.21 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 63.1 p -108.61 -3.76 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 45.7 m -100.01 -22.83 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 30.8 t80 -83.26 25.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.475 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -62.3 166.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.475 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 11.1 t -70.74 167.27 19.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.5 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.1 m-70 -101.89 -14.05 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -103.42 -56.02 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.6 -10.74 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -114.33 144.25 31.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -44.82 -61.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.22 -110.32 3.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 p -125.1 84.48 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -162.11 164.6 27.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.4 p -42.42 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -148.09 143.72 27.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.563 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.7 mp -102.18 104.14 34.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.98 5.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 52' ' ' ASP . 4.0 tppt? -84.95 152.04 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' LYS . 31.7 m-20 -31.14 -68.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -119.36 29.07 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.421 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.7 mt-30 -152.84 -179.86 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.5 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.27 127.62 21.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.15 131.22 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.76 -175.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.631 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 7.0 t -66.2 -51.78 42.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.631 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 -26.92 26.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.2 m -81.91 -51.52 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.563 ' CE2' HG22 ' A' ' 49' ' ' ILE . 55.1 t80 -54.35 -52.33 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.14 -46.54 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -53.35 -50.95 63.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.52 -58.75 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -44.78 -50.58 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.72 113.03 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 t -85.21 -53.42 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.44 -164.53 22.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.9 4.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.5 m -46.24 166.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.42 45.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 3' ' ' SER . 25.2 p -125.1 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 2' ' ' SER . 42.6 m -35.49 -43.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.8 -50.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -81.43 105.34 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.443 ' CB ' ' HE3' ' A' ' 21' ' ' LYS . 4.2 m -72.22 115.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 142.86 17.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . . . . . . . . . 45.5 t -68.37 163.24 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -109.99 -28.46 8.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 2.9 tp10 -67.84 -62.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.401 ' SG ' ' HB2' ' A' ' 13' ' ' LYS . 26.4 p -102.36 11.08 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 41.32 46.11 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . 0.401 ' HB2' ' SG ' ' A' ' 11' ' ' CYS . 6.0 mtmp? -111.35 160.08 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.812 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.461 HG22 ' CE ' ' A' ' 16' ' ' MET . 59.4 m -75.48 107.48 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.444 HG12 ' CE1' ' A' ' 30' ' ' HIS . 27.4 mt -74.55 104.72 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.461 ' CE ' HG22 ' A' ' 14' ' ' THR . 32.5 mmt -54.02 147.87 23.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.825 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.72 14.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.28 9.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 t -85.03 156.16 21.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.44 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 6.0 mmm180 -89.35 120.11 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.443 ' HE3' ' CB ' ' A' ' 6' ' ' SER . 11.6 pttm -105.64 168.75 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -112.51 104.82 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.36 114.07 24.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -138.33 124.64 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt 58.96 32.82 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.85 -38.42 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.553 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 59.3 m -76.87 162.19 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -126.36 155.32 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.553 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 16.9 m-90 -141.79 122.83 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.444 ' CE1' HG12 ' A' ' 15' ' ' ILE . 20.8 m80 -45.87 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.21 -15.07 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.2 p -111.91 -7.2 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.4 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 32.7 m -95.92 -23.72 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -81.75 17.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.05 170.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.18 168.8 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.494 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.7 m-70 -102.89 -15.11 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -103.43 -54.93 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.35 -7.63 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 52.87 43.68 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -112.95 146.7 35.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 80.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.6 mt -45.43 -55.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.74 -116.21 4.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.0 p -120.9 86.33 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 27.6 pttt -160.06 176.33 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -55.65 105.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.46 147.59 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.572 HG21 ' CE1' ' A' ' 61' ' ' TYR . 4.9 mp -102.29 104.03 34.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.3 Cg_endo -69.75 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.3 tptp -85.06 154.64 21.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.42 -67.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.32 27.52 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.428 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 75.1 mt-30 -152.93 179.44 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.494 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.7 m120 -140.06 130.16 24.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.71 134.43 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.4 -177.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.625 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 11.2 t -66.49 -51.78 39.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.625 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.76 -21.72 33.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.0 m -87.84 -56.92 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.572 ' CE1' HG21 ' A' ' 49' ' ' ILE . 54.1 t80 -49.32 -34.7 16.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -56.02 -44.49 78.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -48.6 -48.54 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.37 -54.62 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -50.99 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.6 115.38 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -124.75 177.28 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.22 176.86 23.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 6.95 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 m -73.05 64.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 t -114.77 -52.42 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.49 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -93.07 109.2 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -143.3 174.29 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.74 102.2 2.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -124.36 103.73 8.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -81.63 -59.18 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.49 139.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.4 t -75.15 163.06 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.454 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 15.8 mm-40 -107.63 -34.73 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.73 -66.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.91 10.73 36.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.54 42.82 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -115.32 146.24 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -61.55 119.04 7.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.503 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.1 mt -80.99 96.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.6 mmt -47.77 150.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.895 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -17.64 37.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.85 41.23 2.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.0 t -165.62 157.45 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -94.42 120.02 34.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.4 pttp -109.6 170.37 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -113.03 109.62 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.89 117.32 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.572 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 2.7 t80 -137.41 112.28 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.572 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 26.7 mmtp 63.4 43.94 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 -39.13 2.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 50.8 m -76.02 158.16 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -122.16 155.66 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.4 m-90 -141.82 122.68 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.503 ' CE1' HG12 ' A' ' 15' ' ' ILE . 26.8 m80 -45.79 158.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -63.46 -22.97 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 60.6 p -104.55 -2.09 25.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 m -100.42 -26.37 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 48.6 t80 -81.88 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.8 pp -55.83 162.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.4 ' O ' ' OE1' ' A' ' 40' ' ' GLN . 16.4 t -62.36 163.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.493 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 8.2 m-70 -96.41 -10.84 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -107.97 -63.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.87 -18.53 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER 64.15 42.09 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -114.93 145.27 33.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.79 79.77 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.402 ' C ' ' O ' ' A' ' 42' ' ' PRO . 54.5 mt -37.88 -67.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.85 -123.72 7.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -118.2 41.68 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -112.44 172.64 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -54.07 111.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.94 149.48 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.579 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -104.89 104.24 45.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.708 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 119.72 6.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.476 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 12.8 tppt? -85.48 153.9 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.476 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -32.49 -67.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.71 28.19 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 64.4 mt-30 -153.75 -179.02 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.493 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.39 129.93 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -138.94 133.76 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.75 -174.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.645 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 13.7 t -66.74 -51.39 39.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.645 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.2 Cg_endo -69.8 -22.5 31.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.7 m -87.38 -52.58 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.579 ' CE2' HG22 ' A' ' 49' ' ' ILE . 58.0 t80 -53.33 -50.24 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -41.48 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -77.06 -62.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -47.78 -58.49 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -58.36 -56.0 27.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -92.62 101.01 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.8 p -62.71 118.43 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.84 120.49 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 101.83 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.3 t -62.06 143.85 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 m -105.64 95.96 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -112.28 41.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -65.23 88.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.04 82.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p -121.31 124.34 44.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -93.89 169.09 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.19 131.58 2.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 18.7 t -71.7 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.522 ' NE2' ' H ' ' A' ' 28' ' ' SER . 2.0 mp0 -110.0 -36.36 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -60.14 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 30.4 p -90.43 -11.53 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 62.55 43.39 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.02 138.55 51.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.2 m -49.56 117.9 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.2 mt -83.64 114.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.3 mmt -66.72 152.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -13.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.22 -53.04 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -67.13 151.42 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -78.98 137.22 37.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 28.1 pttt -131.94 165.4 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 93.3 mmm -117.21 111.46 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -90.36 114.69 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -141.11 123.25 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.45 40.47 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.98 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.567 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.7 m -76.38 161.29 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.522 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 50.7 m -122.53 160.51 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.567 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 14.5 m-90 -144.28 126.67 15.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -49.94 160.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.0 pt-20 -61.84 -33.09 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.415 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 65.9 p -91.01 -21.98 21.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.475 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.1 m -82.56 -26.36 32.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 49.3 t80 -83.43 26.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -64.57 165.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.478 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.1 t -68.32 163.95 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 9.0 m-70 -99.68 -13.67 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -102.99 -59.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.12 -15.53 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 60.05 44.66 12.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -117.9 146.7 39.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 80.92 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 68.8 mt -39.08 -63.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.22 -113.04 4.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -129.95 40.46 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 1.1 ptmm? -108.94 172.38 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -56.26 112.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -147.96 146.47 28.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.568 HG23 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -97.8 105.75 29.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.8 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.301 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.3 tppp? -86.0 151.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.9 m-20 -29.6 -67.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.465 ' ND2' ' HG3' ' A' ' 54' ' ' GLN . 1.7 p-10 -121.48 28.97 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.465 ' HG3' ' ND2' ' A' ' 53' ' ' ASN . 35.4 mt-30 -152.46 175.4 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.414 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.6 m-80 -135.01 125.94 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.8 131.52 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.28 -177.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.659 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 22.2 t -65.79 -50.26 55.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -21.95 32.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.35 -58.49 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.568 ' CE2' HG23 ' A' ' 49' ' ' ILE . 65.0 t80 -48.85 -52.46 24.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -44.58 -42.92 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -69.93 -56.75 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -49.75 -56.0 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 85.4 t60 -80.4 43.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -143.93 149.47 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -53.89 155.46 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.56 -173.27 39.02 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.32 4.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 t -109.52 160.44 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 t -110.47 -55.63 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.46 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -126.42 -46.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -83.21 -51.2 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.62 171.01 15.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -108.37 -63.3 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -88.03 150.34 23.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 168.71 24.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.442 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 32.9 t -92.12 162.4 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.0 mp0 -109.96 -33.15 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.09 -70.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.66 -10.98 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 63.49 45.98 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -120.34 136.02 54.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.1 m -46.78 118.42 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.449 ' CG2' ' HD3' ' A' ' 21' ' ' LYS . 61.2 mt -84.93 106.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.8 mmt -53.84 155.94 5.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.871 179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -48.98 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.35 43.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.2 t -67.74 154.08 42.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -94.28 142.79 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.449 ' HD3' ' CG2' ' A' ' 15' ' ' ILE . 9.4 pttm -139.88 152.98 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.6 mmm -88.79 157.39 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -131.25 114.38 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.497 ' CE1' ' HB2' ' A' ' 50' ' ' PRO . 42.1 t80 -141.43 148.19 39.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.478 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 15.7 mmmt 43.67 36.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.02 -37.46 2.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.574 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.9 m -76.34 150.9 36.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 m -108.01 156.6 19.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.574 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 10.9 m-90 -140.59 135.93 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -47.96 176.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.79 -26.32 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -110.71 15.78 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 51.5 m -113.28 -24.29 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.55 19.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 ' C ' HD11 ' A' ' 35' ' ' ILE . 2.8 pp -50.79 166.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -69.16 166.52 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.9 m-70 -99.22 -17.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -100.25 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . 0.419 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 20.5 p -82.35 -18.31 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 62.17 44.12 8.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . 0.419 ' NE2' ' HB2' ' A' ' 39' ' ' CYS . 60.5 mt-30 -119.72 148.43 46.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.85 82.42 0.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -43.76 -56.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.41 -111.46 3.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -125.32 84.63 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -159.69 167.67 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 106.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.81 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.532 ' CG2' ' CD2' ' A' ' 61' ' ' TYR . 4.8 mp -99.46 105.3 32.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.652 0.739 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.497 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.76 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 16.6 tptp -84.41 154.7 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.58 -67.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 27.6 t-20 -119.29 27.82 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -152.8 175.19 13.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -135.53 124.42 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.71 134.19 42.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.37 -176.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.611 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 t -67.01 -52.54 30.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.611 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.5 Cg_endo -69.76 -16.75 37.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.17 -51.4 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.532 ' CD2' ' CG2' ' A' ' 49' ' ' ILE . 27.6 t80 -57.47 -42.83 83.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.45 -41.98 61.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -59.99 -49.25 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -53.36 -43.45 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -70.36 -53.5 16.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.13 118.16 19.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 p -118.68 131.99 56.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.75 -86.06 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' SER . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -55.61 84.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' PRO . 13.1 t -126.44 87.67 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.522 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -118.58 103.74 10.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -110.07 138.3 46.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.63 156.76 28.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -54.91 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -120.39 111.02 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.53 150.32 18.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.458 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 19.6 t -78.98 162.19 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.521 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 8.4 mm-40 -105.7 -38.47 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.61 -71.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -81.41 -13.39 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 60.69 46.24 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -113.94 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.413 HG22 ' CE ' ' A' ' 16' ' ' MET . 24.5 m -92.69 111.11 22.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 64.8 mt -80.49 103.76 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.413 ' CE ' HG22 ' A' ' 14' ' ' THR . 33.2 mmt -54.25 146.17 32.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.62 7.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.14 -44.36 5.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 154.98 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -85.11 145.73 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 17.3 pttp -135.99 166.65 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.549 ' HE3' ' CE2' ' A' ' 34' ' ' PHE . 94.8 mmm -104.09 108.48 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.76 112.76 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.571 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.4 t80 -140.32 128.89 22.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.571 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 7.5 ttpp 53.31 42.97 32.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 -39.93 2.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.507 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 67.4 m -76.44 162.31 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -126.75 154.34 44.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.521 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 15.6 m-90 -137.27 127.91 26.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -44.61 152.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.87 -24.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.508 ' O ' ' N ' ' A' ' 34' ' ' PHE . 7.1 p -101.57 -58.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.6 m -39.3 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.549 ' CE2' ' HE3' ' A' ' 22' ' ' MET . 49.2 t80 -80.6 27.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.418 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.5 pp -57.4 -177.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.418 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.9 t -88.35 166.87 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.53 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 5.8 m-70 -100.83 -11.04 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -107.68 -55.39 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.5 p -91.71 -12.83 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 57.41 43.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -115.67 148.69 41.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 81.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 61.8 mt -46.27 -52.03 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.9 -121.62 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.7 p -115.4 87.09 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.68 173.03 16.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -53.65 102.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -145.69 144.87 30.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -98.31 104.59 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.55 5.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 9.8 tppt? -87.82 152.45 22.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.46 -67.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -119.78 28.77 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.53 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 49.1 mt-30 -153.47 176.59 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.493 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 23.6 m-20 -138.72 126.26 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -134.66 134.73 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.76 -177.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.659 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 24.8 t -65.68 -50.47 55.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.71 -25.27 29.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.7 m -84.61 -57.06 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 49' ' ' ILE . 59.6 t80 -51.73 -47.69 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.25 -41.45 65.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.85 -43.77 98.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -47.72 -47.5 30.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -81.13 -56.79 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -57.24 108.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -111.04 -49.92 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.459 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -49.2 -59.97 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.459 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.7 Cg_endo -69.83 -42.49 3.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.3 m -128.8 110.75 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.5 m -61.24 125.3 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.513 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -95.0 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -113.55 135.18 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 143.2 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -137.4 115.69 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -83.87 -61.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 129.53 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 16.8 t -71.42 162.36 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mp0 -107.49 -35.5 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 4.8 tp10 -60.37 -70.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.79 3.16 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 49.98 46.1 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.04 142.7 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -58.1 117.05 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.6 mt -78.34 96.63 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 29.0 mmt -43.39 147.32 0.77 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -16.83 37.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.52 43.38 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.0 t -161.56 151.91 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.426 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 3.7 ptm85 -82.35 134.31 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -126.33 166.88 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.0 mmm -114.4 115.04 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -89.71 117.45 28.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.57 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 4.6 t80 -132.84 103.3 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.57 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 13.9 mtpt 63.23 49.45 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.26 -36.65 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 69.0 m -75.8 156.23 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.7 p -120.48 155.21 34.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.9 m-90 -142.18 124.83 15.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.8 m80 -44.78 141.35 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -40.7 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.465 ' N ' ' O ' ' A' ' 30' ' ' HIS . 35.1 p -100.92 -55.71 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 62.0 m -41.7 -23.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 48.8 t80 -81.47 21.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.435 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -52.89 177.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.435 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.8 t -80.48 165.12 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.504 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.5 m-70 -97.08 -10.93 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -109.37 -63.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.1 -7.9 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 51.8 44.7 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -118.47 147.67 42.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.57 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.448 HG22 ' CD2' ' A' ' 48' ' ' PHE . 54.6 mt -46.61 -64.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.25 -92.56 1.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 18.1 p -122.6 -32.23 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' THR . 10.1 mtmm -33.3 127.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.8 m -48.3 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.448 ' CD2' HG22 ' A' ' 43' ' ' ILE . 34.4 p90 -117.33 154.79 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.571 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.3 mp -96.06 105.84 24.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.3 tptm -86.34 154.3 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' LYS . 38.7 m-20 -32.96 -67.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.417 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 33.0 m120 -119.47 27.82 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 37.1 mt-30 -155.28 176.45 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.504 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -137.56 133.29 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.18 36.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -69.63 -176.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.661 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 40.6 t -66.91 -50.22 44.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.148 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -16.17 37.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.28 -55.19 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.571 ' CE2' HG22 ' A' ' 49' ' ' ILE . 60.8 t80 -53.35 -54.1 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -72.46 -50.92 22.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.58 -45.8 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.54 -49.23 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.68 156.79 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -86.99 104.4 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.6 141.17 9.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.9 p 41.51 40.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.1 p -124.95 156.95 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.469 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -66.96 152.25 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -94.97 129.71 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.03 97.6 1.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -114.84 -51.36 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.427 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . 2.1 m -77.79 147.74 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.65 124.85 3.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -49.3 162.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 7.0 mm-40 -109.11 -34.5 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.478 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 tm-20 -61.96 -71.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.56 -12.4 45.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.32 43.42 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -115.71 135.36 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.4 m -49.51 112.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 68.8 mt -77.42 109.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 29.6 mmt -61.08 154.79 59.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.811 179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.07 32.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.03 47.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.1 t -169.66 156.33 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -93.19 105.5 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.427 ' HE2' ' CB ' ' A' ' 6' ' ' SER . 7.2 ptpp? -95.63 168.95 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -114.49 102.67 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -91.27 120.79 32.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.407 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 9.8 t80 -141.44 117.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.407 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 39.9 mmtt 60.5 41.43 15.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.12 -30.58 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 70.6 m -77.41 161.87 27.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -130.95 154.13 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . . . . . . . . . 20.7 m-90 -143.5 125.75 15.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -47.98 149.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.47 -20.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.488 ' O ' ' N ' ' A' ' 34' ' ' PHE . 12.4 p -107.9 -53.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.478 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 52.2 m -39.96 -24.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . 19.2 t80 -82.24 26.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.459 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.8 pp -61.31 172.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.459 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 11.1 t -75.39 165.87 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.457 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.4 m-70 -99.37 -11.82 20.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 6.5 ttt-85 -107.43 -58.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -87.74 -9.59 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER 54.38 43.35 30.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -117.33 147.05 39.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 88.34 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.4 mt -42.84 -71.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.65 -95.45 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' LYS . 36.8 p -125.5 -23.88 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.145 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.9 mmmt -33.95 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.475 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 1.8 m -70.26 74.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -87.77 164.98 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.573 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -108.22 105.12 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.405 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.6 Cg_endo -69.78 118.32 5.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.304 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.7 ttmm -86.04 154.82 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.37 -69.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -118.78 26.55 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' LYS . 52.8 mt-30 -153.09 174.91 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.457 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.6 OUTLIER -134.94 138.24 43.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 88.3 m-85 -144.67 139.02 27.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.01 -176.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.667 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 23.6 t -66.12 -50.07 52.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.76 -28.81 24.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.61 -48.37 12.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CE2' HG22 ' A' ' 49' ' ' ILE . 44.1 t80 -59.05 -32.58 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.85 -41.95 99.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -75.6 -39.54 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 34.4 tt0 -66.03 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -80.13 -49.77 11.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.07 133.15 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 m -89.23 121.0 31.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.97 69.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -13.28 34.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -124.51 85.99 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -126.24 108.64 11.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.46 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -43.66 142.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -92.38 161.2 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.51 146.25 21.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -146.91 155.5 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -136.4 165.69 25.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.8 138.86 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.8 t -64.61 161.17 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mm100 -109.49 -34.64 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.481 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.31 -69.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.69 -12.12 43.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 60.54 45.5 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -116.37 134.65 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 m -47.54 113.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.6 mt -79.23 117.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.6 mmt -68.59 154.58 94.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.25 36.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.05 53.69 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -82.5 157.57 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.7 141.03 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.0 pttm -124.33 167.29 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -111.41 102.97 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.36 112.27 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -140.25 122.72 16.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 40.03 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.09 -39.34 2.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.554 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 63.5 m -76.48 162.11 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 m -126.75 154.96 43.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.554 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 22.1 m-90 -141.01 124.72 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.1 m80 -45.82 145.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -44.08 -22.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.484 ' O ' ' N ' ' A' ' 34' ' ' PHE . 14.0 p -103.7 -55.98 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.481 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 55.2 m -40.67 -23.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' THR . 37.8 t80 -81.34 24.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.431 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.6 pp -54.86 178.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.431 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 8.0 t -84.08 169.03 15.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.414 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 3.9 m-70 -102.79 -14.27 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -105.54 -52.79 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.3 p -93.9 -12.28 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.78 43.51 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -114.5 147.92 39.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.99 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.7 mt -47.73 -60.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.28 -108.97 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -132.14 41.5 3.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 43.1 pttt -112.15 153.77 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' LYS . 42.6 m -35.1 106.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -147.14 149.21 32.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE1' ' A' ' 61' ' ' TYR . 5.3 mp -103.5 104.85 44.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.79 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.502 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -84.88 150.39 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.502 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 46.3 m-20 -30.34 -69.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -117.06 30.58 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.434 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 26.2 mt-30 -156.42 178.32 10.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.414 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.4 m120 -137.77 132.41 32.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -141.6 134.83 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.32 -177.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.665 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 26.9 t -65.71 -50.04 57.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.81 -19.3 36.04 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.282 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.7 m -92.58 -62.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE1' HG22 ' A' ' 49' ' ' ILE . 71.2 t80 -43.64 -38.9 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.579 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -58.89 -38.45 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.467 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 9.2 mmmm -66.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -60.0 -41.66 92.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.579 ' CD2' ' HA ' ' A' ' 62' ' ' GLU . 7.0 p80 -85.86 -41.35 15.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 65' ' ' HIS . . . -50.29 141.0 12.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -96.75 142.61 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.2 -106.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 102.36 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.5 p -79.64 113.64 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 p -87.22 42.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.452 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -79.41 122.83 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -83.88 -57.87 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.25 126.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -95.67 132.68 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -89.1 -60.04 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.81 132.67 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.405 ' N ' HG13 ' A' ' 15' ' ' ILE . 54.0 t -77.81 163.16 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.456 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 2.6 mp0 -110.91 -30.3 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.483 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.8 tm-20 -65.26 -60.48 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.28 2.53 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.72 40.1 29.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -111.07 140.2 45.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -54.54 114.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.405 HG13 ' N ' ' A' ' 8' ' ' CYS . 56.6 mt -78.16 96.44 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.423 ' HA ' ' CE ' ' A' ' 16' ' ' MET . 28.5 mmt -46.79 145.27 3.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.548 0.69 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.06 55.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 8.4 t -169.95 159.71 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.157 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -84.87 113.18 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -113.45 169.21 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.9 mmm -117.33 112.34 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.98 112.33 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.521 ' CE2' ' HB2' ' A' ' 50' ' ' PRO . 10.2 t80 -133.97 115.19 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt 63.45 42.7 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.0 -39.22 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.56 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 16.9 m -76.23 152.17 36.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.451 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 9.6 p -117.04 157.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.56 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.2 m-90 -143.22 134.23 25.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -56.78 157.71 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.62 -27.07 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 69.1 p -97.29 -15.04 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.483 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 65.5 m -90.84 -26.13 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' OD1' ' A' ' 55' ' ' ASN . 48.0 t80 -81.79 27.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.492 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -65.18 168.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.3 t -73.52 166.75 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.495 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 18.7 m-70 -104.08 -15.45 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -98.68 -53.07 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.9 p -94.64 -15.0 24.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 59.75 43.55 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -118.9 146.48 40.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 79.89 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -38.51 -66.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.82 -112.12 3.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 p -122.28 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.53 170.96 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.7 p -52.32 104.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -147.53 147.69 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.565 HG22 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -105.24 109.13 62.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.521 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.7 Cg_endo -69.83 120.2 7.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.3 tptm -89.12 151.83 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' LYS . 13.5 m-20 -30.64 -67.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.03 28.96 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.475 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 93.5 mt-30 -152.64 176.48 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' A' ' 34' ' ' PHE . 1.3 m-80 -134.74 122.53 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.57 130.87 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.34 -176.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.624 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 t -66.91 -52.22 33.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.624 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -16.2 37.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.1 m -92.66 -53.75 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.565 ' CE2' HG22 ' A' ' 49' ' ' ILE . 57.8 t80 -59.03 -44.84 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -83.75 -61.68 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.13 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 61' ' ' TYR . 67.4 t60 -72.1 -67.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.0 169.62 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -54.23 151.39 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.21 140.34 3.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 86.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -110.33 112.18 23.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.1 m -53.15 167.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.502 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -83.51 47.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 m -123.89 164.62 18.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.64 -114.65 0.43 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 p -155.04 164.7 38.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -59.23 -66.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.85 139.18 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.4 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.7 t -78.61 161.99 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.4 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 1.0 OUTLIER -106.67 -34.08 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.412 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 11.0 tp10 -64.37 -70.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -84.15 -13.1 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 62.9 42.41 7.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -115.8 137.23 52.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -51.02 111.67 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.0 mt -76.94 115.76 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.9 mmt -67.03 151.17 97.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.547 0.689 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -12.11 32.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.83 -39.31 21.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -88.8 157.03 18.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 155.36 24.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.3 pttm -146.26 165.89 27.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.457 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.5 mmm -116.69 105.18 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.91 115.01 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.39 115.02 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp 63.62 47.72 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.7 -45.53 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.457 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.8 m -76.15 162.26 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.5 ' C ' ' CE3' ' A' ' 29' ' ' TRP . 3.0 t -127.68 168.21 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CE3' ' C ' ' A' ' 28' ' ' SER . 11.3 m-90 -144.78 127.14 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.2 m80 -47.47 145.21 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -39.9 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.479 ' O ' ' N ' ' A' ' 34' ' ' PHE . 20.8 p -102.62 -55.83 2.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 54.4 m -40.42 -24.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 35.5 t80 -82.07 21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.471 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.5 pp -50.15 -176.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.405 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 11.4 t -88.29 166.78 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.56 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 4.0 m-70 -99.9 -9.8 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -109.29 -58.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -88.83 -9.97 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 54.66 44.75 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -116.31 149.04 42.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.1 mt -48.36 -63.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.99 -115.61 5.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -129.54 41.63 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.6 pttp -112.17 155.14 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' LYS . 13.7 m -35.38 109.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -148.14 145.94 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.558 HG22 ' CE1' ' A' ' 61' ' ' TYR . 5.0 mp -97.69 103.45 16.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.9 tptp -85.02 154.69 21.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -33.19 -66.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.71 27.54 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.56 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 34.3 mt-30 -151.05 178.26 9.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.557 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -138.07 127.35 24.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -135.28 134.7 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -65.89 -177.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.661 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.3 t -65.4 -50.15 59.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -23.79 30.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -86.08 -59.46 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.558 ' CE1' HG22 ' A' ' 49' ' ' ILE . 62.1 t80 -52.3 -51.52 58.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -47.62 -42.49 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -63.31 -62.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -47.92 -36.39 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -68.85 -37.29 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -106.5 36.5 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ALA . 82.3 p 34.76 42.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.38 166.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 105.56 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -112.96 123.14 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -46.75 145.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -102.62 177.2 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -138.04 142.03 40.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.58 105.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -156.41 134.42 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -153.55 169.63 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.63 134.64 7.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.511 ' HB2' ' CE1' ' A' ' 30' ' ' HIS . 10.4 t -74.48 162.48 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 mm100 -110.4 -34.37 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.76 -66.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -95.59 -4.69 44.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 61.17 34.96 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -104.25 144.18 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -58.13 121.82 11.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 66.0 mt -84.74 106.74 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.8 mmt -58.98 152.34 50.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.42 37.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.35 58.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 13.1 t -173.83 153.76 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -91.42 115.02 27.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 16.4 pttm -109.47 171.55 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -113.31 104.87 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -84.86 115.77 22.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -141.22 119.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm 60.73 44.49 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.22 -42.76 2.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.473 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 73.3 m -76.37 157.47 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -122.4 160.83 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.473 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 12.0 m-90 -141.17 127.44 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.511 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 31.5 m80 -50.59 154.14 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.19 -24.47 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -102.39 1.17 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -104.84 -27.51 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -80.97 14.34 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.6 pp -47.43 175.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.4 t -77.69 166.32 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.449 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.8 m-70 -99.77 -13.83 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -105.62 -58.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -87.66 -8.8 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 52.76 44.3 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -117.47 147.57 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . 0.406 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 68.7 mt -39.49 -61.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.01 -116.47 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.5 p -127.76 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.406 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -111.32 168.3 9.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 34.1 m -52.62 108.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -143.34 144.11 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.569 HG23 ' CE1' ' A' ' 61' ' ' TYR . 4.1 mp -96.92 103.43 14.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.8 121.8 8.47 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.349 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.0 ttmt -91.22 155.28 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 51' ' ' LYS . 33.3 m-20 -31.12 -70.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 1.5 m120 -119.12 28.1 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.449 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -151.66 169.28 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -134.04 125.7 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.78 135.38 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.12 -175.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.661 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.0 t -66.69 -50.34 45.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.641 0.734 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.75 -21.49 33.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -89.81 -41.82 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE1' HG23 ' A' ' 49' ' ' ILE . 49.3 t80 -68.8 -51.05 44.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.54 -33.21 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -66.15 -60.25 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -57.11 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -42.17 -47.37 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.89 104.82 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 t -49.88 131.39 22.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.64 -99.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 m -69.5 83.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -160.98 127.41 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -99.06 141.18 32.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -72.89 144.61 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.45 -60.07 8.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -73.08 173.58 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.423 ' CB ' ' HE3' ' A' ' 21' ' ' LYS . 44.3 m -143.6 144.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.45 159.89 22.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.459 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.7 t -88.11 162.05 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -109.91 -34.43 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.53 -68.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -89.03 -14.63 36.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 63.93 44.94 4.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 134.28 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.401 HG23 ' CE ' ' A' ' 16' ' ' MET . 86.3 m -43.74 116.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 76.5 mt -83.21 99.04 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.401 ' CE ' HG23 ' A' ' 14' ' ' THR . 33.6 mmt -43.92 149.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 179.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -10.75 29.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 -55.75 3.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -68.98 151.68 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -83.02 148.84 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.423 ' HE3' ' CB ' ' A' ' 6' ' ' SER . 15.1 pttm -131.2 171.94 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.402 ' HG3' ' CG ' ' A' ' 34' ' ' PHE . 99.8 mmm -117.48 102.84 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.3 115.28 22.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.98 110.73 8.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttp 63.09 43.19 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.16 -36.8 3.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.557 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 26.0 m -75.96 162.51 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.902 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -132.17 159.47 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.557 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.6 m-90 -143.89 130.48 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' THR . 4.1 m80 -51.87 143.11 13.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -43.54 -22.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.495 ' O ' ' CG2' ' A' ' 35' ' ' ILE . 6.8 p -102.96 -41.07 6.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.6 -20.21 45.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' O ' ' CD2' ' A' ' 34' ' ' PHE . 40.1 t80 -84.23 26.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.495 ' CG2' ' O ' ' A' ' 32' ' ' THR . 2.8 pp -59.87 177.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 13.1 t -81.37 166.68 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.478 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -99.99 -16.78 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -100.42 -61.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.8 -16.93 39.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 61.63 44.44 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -117.76 149.14 44.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.238 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.2 mt -50.91 -64.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.11 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -130.25 41.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 170.38 8.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 108.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -148.32 145.4 28.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.575 HG22 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -97.41 103.71 17.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.79 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.1 tptm -83.48 152.71 24.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 7.1 m-20 -31.23 -67.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' CG ' ' O ' ' A' ' 53' ' ' ASN . 39.5 t30 -121.11 28.53 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.424 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 45.9 mt-30 -153.26 177.48 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.478 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 m120 -135.6 133.78 38.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -142.58 131.26 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.38 -177.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.669 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.4 t -65.94 -49.9 55.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.72 -25.68 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.29 -54.59 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.575 ' CE2' HG22 ' A' ' 49' ' ' ILE . 78.1 t80 -55.48 -52.29 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.52 -45.08 13.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -54.52 -47.24 73.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -53.17 -46.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -92.55 42.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.66 164.15 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.5 p -105.09 164.28 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.52 83.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 m -137.4 173.07 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -44.34 126.12 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.479 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -149.19 157.31 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -138.24 124.21 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.04 55.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -86.97 101.97 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -119.63 -71.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 119.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -51.6 162.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 13.6 mm-40 -107.6 -34.58 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 17.2 tp10 -64.67 -70.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.8 p -84.46 -16.34 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 66.54 39.2 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -110.82 136.25 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 m -51.53 109.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 70.3 mt -75.0 117.94 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.06 154.01 90.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.71 10.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.83 -67.99 1.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -55.06 155.29 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -91.8 109.3 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 40.0 pttt -92.8 170.37 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.3 mmm -117.44 108.09 15.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -87.45 116.09 25.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -140.03 118.79 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt 61.36 35.69 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.32 -33.78 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.55 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 35.0 m -76.4 159.17 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.872 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -122.2 152.06 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.55 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 17.2 m-90 -142.7 125.09 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.2 m80 -48.22 147.39 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.7 -22.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.458 ' O ' ' N ' ' A' ' 34' ' ' PHE . 20.7 p -105.27 -54.6 2.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 58.8 m -41.87 -22.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 27.1 t80 -82.0 24.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.479 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -59.56 174.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 15.6 t -79.0 164.97 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -96.66 -10.91 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -108.94 -63.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.83 -9.32 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 52.67 45.27 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.37 147.81 46.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 85.69 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.8 mt -42.48 -69.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.5 -86.54 0.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 46' ' ' LYS . 30.5 p -127.66 -34.21 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.0 mttm -33.46 128.58 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 72.0 m -48.83 112.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -124.61 162.02 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.569 HG23 ' CE2' ' A' ' 61' ' ' TYR . 4.0 mp -102.92 106.21 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.6 tptt -86.37 154.6 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -32.55 -66.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -121.04 27.81 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.68 -179.88 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.447 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -140.69 137.95 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -145.03 141.13 28.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -71.25 -177.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.662 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 54.5 t -66.75 -49.66 48.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.662 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -13.65 34.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.7 m -97.87 -61.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.569 ' CE2' HG23 ' A' ' 49' ' ' ILE . 50.5 t80 -43.95 -35.54 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.74 -43.17 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.463 ' HE3' ' N ' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -55.56 -55.64 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -48.47 -48.71 37.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -98.73 39.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.59 -50.72 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.6 p -106.54 116.71 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.36 -79.68 1.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.29 68.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m 54.04 42.64 31.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -164.7 145.13 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m 55.41 40.79 31.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -54.08 158.7 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.02 36.82 3.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -62.06 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -96.74 -60.5 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 131.28 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.417 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 40.6 t -86.82 162.34 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -108.45 -33.27 7.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 3.2 tp10 -61.38 -68.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.43 4.44 53.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 50.53 42.29 26.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -112.46 144.95 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.41 HG23 ' CE ' ' A' ' 16' ' ' MET . 85.3 m -58.52 117.65 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 78.7 mt -79.83 95.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.41 ' CE ' HG23 ' A' ' 14' ' ' THR . 33.1 mmt -43.56 148.8 0.66 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.86 34.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.0 57.7 4.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 5.8 t -175.0 160.84 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -96.57 117.62 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.9 pttm -104.35 169.36 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 99.5 mmm -112.83 102.8 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -86.99 114.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.7 115.22 13.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.4 40.98 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.24 -37.8 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.559 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 48.8 m -76.39 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -127.86 158.28 38.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.559 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.0 m-90 -143.52 131.2 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.4 m80 -49.75 141.69 9.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.5 pt-20 -40.31 -25.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 34' ' ' PHE . 34.7 p -100.43 -58.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.4 m -39.43 -24.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' THR . 33.3 t80 -80.92 31.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.494 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -66.51 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.25 162.22 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -96.88 -8.41 30.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -108.67 -63.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.33 -12.31 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 58.19 43.36 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -120.11 148.91 48.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 87.77 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.7 mt -41.56 -69.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.37 -116.7 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -126.36 37.96 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -92.38 178.57 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -78.72 60.48 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 16.2 p90 -86.92 145.53 26.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.57 HG23 ' CE1' ' A' ' 61' ' ' TYR . 3.3 mp -95.88 104.15 15.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.462 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 2.8 tppp? -77.69 154.62 31.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 15.0 m-20 -33.49 -67.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -118.32 27.6 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 43.3 mt-30 -154.48 178.95 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -132.24 149.28 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -157.08 136.71 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.22 -175.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.636 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 20.4 t -66.55 -51.62 40.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.636 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.78 -21.98 32.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.0 m -86.09 -52.53 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.57 ' CE1' HG23 ' A' ' 49' ' ' ILE . 58.1 t80 -55.92 -52.38 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -50.11 -42.05 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -57.76 -50.1 74.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.54 -39.91 95.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -92.74 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.42 133.73 55.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -89.74 108.6 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.39 -172.7 33.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.53 5.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 t -79.58 131.33 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m 58.7 46.45 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.494 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 60.6 p 36.35 46.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.24 -172.38 26.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -104.85 -51.83 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -72.45 159.21 34.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 131.29 3.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.409 ' N ' HG13 ' A' ' 15' ' ' ILE . 41.0 t -65.94 162.26 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.477 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 16.0 mm-40 -107.19 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.463 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -61.94 -72.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.51 -11.32 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.46 46.74 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -118.84 134.46 55.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.4 m -46.96 111.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.409 HG13 ' N ' ' A' ' 8' ' ' CYS . 65.9 mt -74.99 120.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.9 mmt -75.49 152.91 85.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.902 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -11.23 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.77 39.31 3.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.8 t -167.84 151.46 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -87.34 120.62 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -107.61 162.29 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.512 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 95.0 mmm -103.49 105.08 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.46 113.57 21.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -139.25 115.23 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttt 63.78 39.54 8.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.36 -30.24 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.552 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 46.7 m -81.79 162.28 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.9 m -128.28 156.2 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.552 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.3 m-90 -142.52 126.28 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.6 m80 -46.49 141.76 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -39.05 -26.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 34' ' ' PHE . 34.7 p -99.01 -59.13 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.463 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.3 m -39.84 -23.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.512 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 32.7 t80 -81.25 23.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.432 ' N ' ' O ' ' A' ' 32' ' ' THR . 2.1 pp -49.24 -178.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.78 166.56 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.535 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 5.0 m-70 -100.18 -7.35 24.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -112.6 -54.81 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.04 -4.14 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 49.3 43.82 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -112.68 146.74 35.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.71 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 48.7 mt -46.66 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.45 -112.25 4.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -132.77 41.78 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 171.77 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -51.15 107.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.8 p90 -146.03 143.82 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.525 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -96.22 103.96 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.45 5.69 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CE ' ' NE2' ' A' ' 64' ' ' GLN . 16.1 tppt? -83.72 154.37 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 42.9 m-20 -33.44 -67.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -119.21 27.46 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.535 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 67.1 mt-30 -152.04 -178.59 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . 0.493 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 2.8 m120 -141.18 124.65 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CG ' ' OE1' ' A' ' 64' ' ' GLN . 98.0 m-85 -133.08 135.17 45.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.45 -176.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.618 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.7 t -67.25 -52.62 28.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.618 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -17.47 37.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.617 2.211 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.45 -49.01 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.525 ' CE2' HG21 ' A' ' 49' ' ' ILE . 53.2 t80 -58.71 -32.24 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.61 -30.86 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.35 -60.41 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . 0.535 ' OE1' ' CG ' ' A' ' 56' ' ' PHE . 10.5 pt20 -67.93 -55.27 13.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 45.9 t60 -42.45 -60.34 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 132.94 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -128.22 170.02 13.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.39 143.43 8.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -11.79 31.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' SER . 8.3 t -80.19 171.77 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' SER . 95.8 p 36.89 42.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.476 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -67.51 -49.13 64.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -68.65 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 140.54 36.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -91.67 144.27 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m 57.89 42.37 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.35 155.53 51.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 11.5 t -79.95 162.82 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.513 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 14.0 mm-40 -109.85 -34.74 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -59.47 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.26 11.15 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 43.39 46.82 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 147.74 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.438 HG21 ' CE ' ' A' ' 16' ' ' MET . 86.3 m -62.87 110.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . 0.438 HG12 ' CD2' ' A' ' 30' ' ' HIS . 65.9 mt -78.79 110.93 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' MET . . . . . 0.438 ' CE ' HG21 ' A' ' 14' ' ' THR . 34.6 mmt -59.9 154.7 47.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.67 5.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.9 t -82.64 154.85 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -179.851 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -86.88 145.92 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 10.5 pttm -134.01 164.21 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' MET . . . . . 0.515 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 82.4 mmm -108.33 107.17 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.35 111.79 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' TYR . . . . . 0.576 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t80 -137.48 124.01 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.576 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 29.6 mtpt 57.02 42.69 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.98 -39.14 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' SER . . . . . 0.537 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 59.0 m -76.6 158.77 30.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' TRP . . . . . 0.537 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 13.7 m-90 -144.01 133.64 23.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' THR . 15.6 m80 -52.26 140.14 22.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' GLU . . . . . 0.428 ' C ' ' O ' ' A' ' 30' ' ' HIS . 9.3 pt-20 -35.53 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.489 ' O ' ' N ' ' A' ' 34' ' ' PHE . 41.2 p -94.71 -57.68 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.7 m -39.95 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 35.7 t80 -80.84 29.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.488 ' CD1' ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -65.94 170.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' CYS . . . . . 0.488 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 16.9 t -72.98 165.59 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -99.87 -16.86 17.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 -100.25 -61.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -84.39 -16.94 40.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 61.76 44.26 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -119.45 146.86 42.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.26 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 73.5 mt -49.01 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.53 -110.77 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 40.11 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.157 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -111.36 161.65 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -42.38 109.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.6 p90 -148.02 146.61 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ILE . . . . . 0.45 HG22 ' CE1' ' A' ' 61' ' ' TYR . 5.1 mp -100.71 103.54 25.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.527 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.73 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -87.91 150.89 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' LYS . 10.9 m-20 -30.45 -70.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.421 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 35.6 t30 -117.37 30.51 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLN . . . . . 0.426 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 37.2 mt-30 -156.39 175.63 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -138.27 130.7 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.82 132.13 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.92 -177.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.671 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.8 t -66.29 -49.77 52.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.671 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.76 -17.42 37.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.47 -54.5 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.45 ' CE1' HG22 ' A' ' 49' ' ' ILE . 39.8 t80 -52.5 -51.34 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.54 -44.31 25.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -57.33 -58.07 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -55.33 -45.57 76.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -54.79 -59.06 5.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.08 163.41 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.2 m -151.29 132.25 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.05 -169.01 34.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -115.13 125.6 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 m -91.62 131.74 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 25.4 t -88.36 162.42 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.8 mm-40 -106.56 -35.63 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 6.9 tm-20 -61.93 -72.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' LYS . 28.9 p -92.76 14.4 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 38.0 mmtt 36.8 47.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -111.3 162.75 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.8 m -75.9 109.52 9.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 8' ' ' CYS . 48.4 mt -77.7 107.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mmt -58.21 150.65 51.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -9.97 27.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -46.17 6.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -75.08 160.97 29.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -85.95 143.03 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.3 pttm -134.93 159.04 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 mmm -109.62 104.6 13.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.11 116.11 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -136.72 110.05 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttm 63.9 44.15 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.03 -34.37 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 14.0 m -77.61 162.57 26.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -131.83 152.07 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 19.3 m-90 -138.43 127.56 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 18.5 m80 -48.08 138.68 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -38.41 -27.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' ILE . 82.1 p -97.53 -55.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.6 m -43.56 -21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 65.1 t80 -82.28 21.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.58 177.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.1 t -80.47 165.37 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -100.99 -7.37 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -111.22 -53.84 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.8 -10.36 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.7 43.82 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -117.1 146.35 37.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 86.52 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 48' ' ' PHE . 28.7 mt -51.14 -55.62 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.29 -116.66 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.8 p -119.7 86.56 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -160.63 173.52 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -53.62 100.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' A' ' 43' ' ' ILE . 2.7 p90 -144.21 144.51 31.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -99.27 104.7 28.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.81 117.76 5.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.2 tptt -83.96 153.75 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' LYS . 3.6 m-20 -32.99 -67.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.33 28.33 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.441 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 31.2 mt-30 -153.55 -178.21 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -140.93 130.41 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -138.98 134.48 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.86 -177.33 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.644 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 12.3 t -66.02 -51.89 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.76 -27.62 26.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.3 m -80.22 -53.85 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 49' ' ' ILE . 25.4 t80 -53.83 -50.54 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -46.27 -44.69 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 7.2 t -78.36 162.47 26.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mp0 -109.55 -35.45 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.18 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -96.91 5.38 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 47.26 47.35 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -118.08 146.82 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.0 m -60.48 114.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.83 95.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 19' ' ' THR . 28.8 mmt -45.92 153.41 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.83 23.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.95 -53.66 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 16' ' ' MET . 12.2 t -57.03 153.9 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.166 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -88.93 124.63 34.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -119.25 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -113.85 108.6 17.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.35 114.2 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -136.67 121.42 18.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 59.67 30.82 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.62 -37.73 3.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.493 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.3 m -76.59 162.08 28.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -123.71 159.06 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 13.8 m-90 -142.95 128.3 18.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -50.46 149.15 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.34 -20.06 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.6 p -104.16 -14.17 15.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.8 m -90.5 -24.13 20.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 43.0 t80 -81.45 18.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -58.55 169.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.514 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.5 t -73.07 167.67 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.2 m-70 -101.84 -17.64 16.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.04 -56.98 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -88.65 -13.29 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 56.64 44.92 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -119.72 145.06 38.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 48' ' ' PHE . 52.6 mt -37.65 -67.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.83 -87.16 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 56.7 p -132.03 -39.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -33.46 146.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.9 m -43.03 121.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.587 ' HB3' HG21 ' A' ' 43' ' ' ILE . 9.1 p90 -148.1 140.72 24.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.973 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -96.68 104.12 16.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.04 6.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 36.0 tptt -84.81 154.86 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.8 m-20 -33.06 -66.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -119.61 27.42 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.506 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 61.0 mt-30 -153.42 178.43 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.596 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -136.67 128.73 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.79 128.89 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.84 -176.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.64 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 9.8 t -65.63 -51.57 49.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.118 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.5 m -87.34 -59.93 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.973 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.9 t80 -49.67 -56.03 11.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -44.5 -44.42 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.1 t -78.73 162.4 26.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 4.1 mm100 -109.95 -34.82 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.85 -65.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.35 -4.93 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt 61.57 32.22 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.74 144.86 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.3 m -62.96 119.1 8.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.9 mt -83.83 125.31 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -74.24 152.97 88.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.75 31.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -79.2 156.28 28.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -88.29 124.05 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 15' ' ' ILE . 12.4 pttp -110.56 168.59 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.2 mmm -114.3 108.78 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.54 114.71 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -138.41 116.65 11.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.18 37.51 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -40.79 3.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.452 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 m -76.52 162.27 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -124.18 158.62 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 12.6 m-90 -141.91 127.69 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.583 ' CE1' HG12 ' A' ' 15' ' ' ILE . 36.6 m80 -49.67 148.45 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.34 -17.51 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.8 p -106.91 -11.52 15.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.89 -24.02 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -81.65 16.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -51.06 171.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.2 t -74.51 167.15 22.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.503 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m170 -102.25 -13.2 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -105.08 -54.69 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.38 -5.88 48.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 50.56 43.7 27.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -115.01 145.48 34.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 80.24 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.4 mt -41.29 -56.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 -113.22 4.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.3 p -119.87 85.78 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -163.17 156.59 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -41.47 105.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -144.33 142.08 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.72 105.99 30.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.77 120.14 6.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.9 tptm -86.69 153.62 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.8 m-20 -32.48 -67.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -120.84 28.82 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.503 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 86.9 mt-30 -153.86 176.05 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.49 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -138.25 133.94 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -65.56 -178.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.677 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.0 t -66.05 -50.1 53.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.73 -16.28 37.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.01 -53.72 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 49' ' ' ILE . 41.2 t80 -59.3 -50.32 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -52.55 -37.54 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.5 t -79.66 162.41 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 5.4 mm100 -107.34 -32.71 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -64.24 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.09 1.97 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 53.99 35.48 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.07 145.74 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.7 m -62.69 111.4 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CE1' ' A' ' 30' ' ' HIS . 61.9 mt -72.29 102.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.591 ' O ' HG22 ' A' ' 19' ' ' THR . 31.0 mmt -56.12 154.27 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 169.58 18.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.78 -55.79 5.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 16' ' ' MET . 11.9 t -58.48 151.59 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -85.49 110.99 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -106.58 167.73 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.401 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 78.7 mmm -109.85 115.17 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -93.6 116.84 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 62.2 t80 -137.32 118.15 14.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 3.6 mptt 55.46 46.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.43 -35.35 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.59 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.4 m -75.87 162.84 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.408 ' OG ' HD12 ' A' ' 15' ' ' ILE . 74.8 p -125.39 158.46 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 15.6 m-90 -144.55 123.42 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' HG12 ' A' ' 15' ' ' ILE . 17.6 m80 -45.85 158.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 32' ' ' THR . 3.6 pt-20 -64.45 -19.21 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.632 HG23 ' HG3' ' A' ' 31' ' ' GLU . 63.1 p -108.61 -3.76 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 45.7 m -100.01 -22.83 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 30.8 t80 -83.26 25.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -62.3 166.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -70.74 167.27 19.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -101.89 -14.05 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -103.42 -56.02 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.6 -10.74 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -114.33 144.25 31.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -44.82 -61.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.22 -110.32 3.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 p -125.1 84.48 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -162.11 164.6 27.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.4 p -42.42 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -148.09 143.72 27.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.7 mp -102.18 104.14 34.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.98 5.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 52' ' ' ASP . 4.0 tppt? -84.95 152.04 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' LYS . 31.7 m-20 -31.14 -68.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -119.36 29.07 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.7 mt-30 -152.84 -179.86 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -140.27 127.62 21.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.15 131.22 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.76 -175.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.642 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 7.0 t -66.2 -51.78 42.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 -26.92 26.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.2 m -81.91 -51.52 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 55.1 t80 -54.35 -52.33 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.14 -46.54 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' HD11 ' A' ' 15' ' ' ILE . 45.5 t -68.37 163.24 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -109.99 -28.46 8.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.84 -62.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.36 11.08 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 41.32 46.11 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -111.35 160.08 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.4 m -75.48 107.48 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 21' ' ' LYS . 27.4 mt -74.55 104.72 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.5 mmt -54.02 147.87 23.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.72 14.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.28 9.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 t -85.03 156.16 21.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 6.0 mmm180 -89.35 120.11 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HB3' HG21 ' A' ' 15' ' ' ILE . 11.6 pttm -105.64 168.75 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -112.51 104.82 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.36 114.07 24.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -138.33 124.64 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt 58.96 32.82 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.85 -38.42 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.576 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 59.3 m -76.87 162.19 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -126.36 155.32 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 16.9 m-90 -141.79 122.83 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 15' ' ' ILE . 20.8 m80 -45.87 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.21 -15.07 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.2 p -111.91 -7.2 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -95.92 -23.72 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -81.75 17.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.05 170.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.18 168.8 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -102.89 -15.11 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -103.43 -54.93 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.35 -7.63 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 52.87 43.68 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -112.95 146.7 35.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 80.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 46' ' ' LYS . 61.6 mt -45.43 -55.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.74 -116.21 4.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.0 p -120.9 86.33 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 43' ' ' ILE . 27.6 pttt -160.06 176.33 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -55.65 105.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.46 147.59 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.976 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -102.29 104.03 34.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.3 Cg_endo -69.75 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.3 tptp -85.06 154.64 21.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.42 -67.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.32 27.52 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 31.9 mt-30 -152.93 179.44 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -140.06 130.16 24.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.71 134.43 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.4 -177.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.635 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 11.2 t -66.49 -51.78 39.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.76 -21.72 33.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.0 m -87.84 -56.92 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.976 ' CE2' HG21 ' A' ' 49' ' ' ILE . 54.1 t80 -49.32 -34.7 16.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -56.02 -44.49 78.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.4 t -75.15 163.06 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -107.63 -34.73 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.73 -66.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.91 10.73 36.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.54 42.82 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -115.32 146.24 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -61.55 119.04 7.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 21' ' ' LYS . 56.1 mt -80.99 96.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.575 ' O ' HG22 ' A' ' 19' ' ' THR . 33.6 mmt -47.77 150.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -17.64 37.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.85 41.23 2.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 16' ' ' MET . 11.0 t -165.62 157.45 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -94.42 120.02 34.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.4 pttp -109.6 170.37 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -113.03 109.62 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.89 117.32 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 2.7 t80 -137.41 112.28 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 26.7 mmtp 63.4 43.94 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 -39.13 2.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 50.8 m -76.02 158.16 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -122.16 155.66 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.4 m-90 -141.82 122.68 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' HG12 ' A' ' 15' ' ' ILE . 26.8 m80 -45.79 158.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.0 pt-20 -63.46 -22.97 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 31' ' ' GLU . 60.6 p -104.55 -2.09 25.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 m -100.42 -26.37 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 48.6 t80 -81.88 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.8 pp -55.83 162.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.4 t -62.36 163.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -96.41 -10.84 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -107.97 -63.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.87 -18.53 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER 64.15 42.09 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -114.93 145.27 33.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.79 79.77 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 48' ' ' PHE . 54.5 mt -37.88 -67.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.85 -123.72 7.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -118.2 41.68 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -112.44 172.64 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -54.07 111.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.1 p90 -147.94 149.48 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -104.89 104.24 45.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.708 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 119.72 6.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.8 tppt? -85.48 153.9 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -32.49 -67.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.71 28.19 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.432 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.75 -179.02 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.39 129.93 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -138.94 133.76 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.75 -174.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.657 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 13.7 t -66.74 -51.39 39.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.2 Cg_endo -69.8 -22.5 31.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.7 m -87.38 -52.58 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.894 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.0 t80 -53.33 -50.24 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -41.48 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.9 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 15' ' ' ILE . 18.7 t -71.7 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.523 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 2.9 mp0 -110.0 -36.36 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -60.14 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 30.4 p -90.43 -11.53 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 62.55 43.39 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.02 138.55 51.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.2 m -49.56 117.9 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.2 mt -83.64 114.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.3 mmt -66.72 152.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -13.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.22 -53.04 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -67.13 151.42 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -78.98 137.22 37.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 15' ' ' ILE . 28.1 pttt -131.94 165.4 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 93.3 mmm -117.21 111.46 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -90.36 114.69 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -141.11 123.25 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.45 40.47 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.98 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.589 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.7 m -76.38 161.29 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -122.53 160.51 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 14.5 m-90 -144.28 126.67 15.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -49.94 160.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 32' ' ' THR . 18.0 pt-20 -61.84 -33.09 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.9 p -91.01 -21.98 21.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.1 m -82.56 -26.36 32.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 49.3 t80 -83.43 26.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -64.57 165.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.1 t -68.32 163.95 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -99.68 -13.67 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -102.99 -59.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.12 -15.53 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 60.05 44.66 12.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -117.9 146.7 39.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 80.92 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG23 ' HG2' ' A' ' 46' ' ' LYS . 68.8 mt -39.08 -63.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.22 -113.04 4.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -129.95 40.46 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HG2' HG23 ' A' ' 43' ' ' ILE . 1.1 ptmm? -108.94 172.38 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -56.26 112.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -147.96 146.47 28.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.961 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -97.8 105.75 29.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.8 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.301 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.3 tppp? -86.0 151.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.9 m-20 -29.6 -67.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -121.48 28.97 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.4 mt-30 -152.46 175.4 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -135.01 125.94 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.8 131.52 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.28 -177.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.669 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 22.2 t -65.79 -50.26 55.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -21.95 32.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.35 -58.49 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.961 ' CE2' HG21 ' A' ' 49' ' ' ILE . 65.0 t80 -48.85 -52.46 24.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -44.58 -42.92 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 32.9 t -92.12 162.4 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.0 mp0 -109.96 -33.15 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.09 -70.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.66 -10.98 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 63.49 45.98 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -120.34 136.02 54.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.1 m -46.78 118.42 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.726 HG21 ' HD3' ' A' ' 21' ' ' LYS . 61.2 mt -84.93 106.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 19' ' ' THR . 31.8 mmt -53.84 155.94 5.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -48.98 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.35 43.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 16' ' ' MET . 14.2 t -67.74 154.08 42.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -94.28 142.79 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HD3' HG21 ' A' ' 15' ' ' ILE . 9.4 pttm -139.88 152.98 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.6 mmm -88.79 157.39 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -131.25 114.38 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 50' ' ' PRO . 42.1 t80 -141.43 148.19 39.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 15.7 mmmt 43.67 36.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.02 -37.46 2.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.9 m -76.34 150.9 36.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 m -108.01 156.6 19.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 10.9 m-90 -140.59 135.93 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CE1' HG12 ' A' ' 15' ' ' ILE . 3.5 m80 -47.96 176.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.79 -26.32 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -110.71 15.78 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 51.5 m -113.28 -24.29 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.55 19.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 35' ' ' ILE . 2.8 pp -50.79 166.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -69.16 166.52 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.9 m-70 -99.22 -17.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -100.25 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 20.5 p -82.35 -18.31 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 62.17 44.12 8.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 39' ' ' CYS . 60.5 mt-30 -119.72 148.43 46.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.404 ' N ' HG22 ' A' ' 35' ' ' ILE . 53.0 Cg_endo -69.85 82.42 0.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -43.76 -56.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.41 -111.46 3.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -125.32 84.63 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -159.69 167.67 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 106.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.81 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.033 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -99.46 105.3 32.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.652 0.739 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.76 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.6 tptp -84.41 154.7 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.58 -67.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 27.6 t-20 -119.29 27.82 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.553 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 74.2 mt-30 -152.8 175.19 13.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -135.53 124.42 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.71 134.19 42.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.37 -176.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.621 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 t -67.01 -52.54 30.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.5 Cg_endo -69.76 -16.75 37.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.17 -51.4 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 1.033 ' CE2' HG21 ' A' ' 49' ' ' ILE . 27.6 t80 -57.47 -42.83 83.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.45 -41.98 61.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 15' ' ' ILE . 19.6 t -78.98 162.19 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 7.1 mm100 -105.7 -38.47 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.61 -71.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -81.41 -13.39 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 60.69 46.24 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -113.94 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -92.69 111.11 22.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.8 mt -80.49 103.76 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mmt -54.25 146.17 32.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.62 7.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.14 -44.36 5.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 154.98 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -85.11 145.73 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD3' HG21 ' A' ' 15' ' ' ILE . 17.3 pttp -135.99 166.65 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.449 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.8 mmm -104.09 108.48 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.76 112.76 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.4 t80 -140.32 128.89 22.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 7.5 ttpp 53.31 42.97 32.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 -39.93 2.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 67.4 m -76.44 162.31 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -126.75 154.34 44.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 15.6 m-90 -137.27 127.91 26.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -44.61 152.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.87 -24.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 35' ' ' ILE . 7.1 p -101.57 -58.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.6 m -39.3 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' THR . 49.2 t80 -80.6 27.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -57.4 -177.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.9 t -88.35 166.87 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -100.83 -11.04 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -107.68 -55.39 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.5 p -91.71 -12.83 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 57.41 43.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -115.67 148.69 41.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 81.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.404 HG21 ' CB ' ' A' ' 48' ' ' PHE . 61.8 mt -46.27 -52.03 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.9 -121.62 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.7 p -115.4 87.09 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.68 173.03 16.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -53.65 102.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CB ' HG21 ' A' ' 43' ' ' ILE . 2.9 p90 -145.69 144.87 30.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.796 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -98.31 104.59 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.55 5.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 9.8 tppt? -87.82 152.45 22.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.46 -67.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -119.78 28.77 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.442 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 49.1 mt-30 -153.47 176.59 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -138.72 126.26 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -134.66 134.73 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.76 -177.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 24.8 t -65.68 -50.47 55.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.71 -25.27 29.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.7 m -84.61 -57.06 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 49' ' ' ILE . 59.6 t80 -51.73 -47.69 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.25 -41.45 65.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 16.8 t -71.42 162.36 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mp0 -107.49 -35.5 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 4.8 tp10 -60.37 -70.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.79 3.16 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 49.98 46.1 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.04 142.7 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -58.1 117.05 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.6 mt -78.34 96.63 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.678 ' O ' HG22 ' A' ' 19' ' ' THR . 29.0 mmt -43.39 147.32 0.77 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -16.83 37.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.52 43.38 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 16' ' ' MET . 15.0 t -161.56 151.91 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 3.7 ptm85 -82.35 134.31 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -126.33 166.88 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.0 mmm -114.4 115.04 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -89.71 117.45 28.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 4.6 t80 -132.84 103.3 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 13.9 mtpt 63.23 49.45 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.26 -36.65 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 69.0 m -75.8 156.23 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.7 p -120.48 155.21 34.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.9 m-90 -142.18 124.83 15.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.8 m80 -44.78 141.35 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 32' ' ' THR . 12.1 pt-20 -40.7 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 35' ' ' ILE . 35.1 p -100.92 -55.71 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 62.0 m -41.7 -23.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 48.8 t80 -81.47 21.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.89 177.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 t -80.48 165.12 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -97.08 -10.93 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -109.37 -63.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.1 -7.9 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 51.8 44.7 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -118.47 147.67 42.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.57 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -46.61 -64.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.25 -92.56 1.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 18.1 p -122.6 -32.23 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' THR . 10.1 mtmm -33.3 127.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.8 m -48.3 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -117.33 154.79 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.3 mp -96.06 105.84 24.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.0 Cg_endo -69.71 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.3 tptm -86.34 154.3 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' LYS . 38.7 m-20 -32.96 -67.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.433 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 33.0 m120 -119.47 27.82 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 37.1 mt-30 -155.28 176.45 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 133.29 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.18 36.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -69.63 -176.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 40.6 t -66.91 -50.22 44.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.148 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -16.17 37.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.28 -55.19 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CE2' HG21 ' A' ' 49' ' ' ILE . 60.8 t80 -53.35 -54.1 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -49.3 162.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 7.0 mm-40 -109.11 -34.5 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 tm-20 -61.96 -71.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.56 -12.4 45.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.32 43.42 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -115.71 135.36 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.4 m -49.51 112.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 ' HB3' ' A' ' 21' ' ' LYS . 68.8 mt -77.42 109.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.607 ' O ' HG22 ' A' ' 19' ' ' THR . 29.6 mmt -61.08 154.79 59.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.07 32.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.03 47.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 16' ' ' MET . 14.1 t -169.66 156.33 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -93.19 105.5 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' ILE . 7.2 ptpp? -95.63 168.95 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -114.49 102.67 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -91.27 120.79 32.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 9.8 t80 -141.44 117.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 39.9 mmtt 60.5 41.43 15.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.12 -30.58 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 70.6 m -77.41 161.87 27.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -130.95 154.13 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.41 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 20.7 m-90 -143.5 125.75 15.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -47.98 149.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.47 -20.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.855 ' O ' HG23 ' A' ' 35' ' ' ILE . 12.4 p -107.9 -53.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 52.2 m -39.96 -24.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . 19.2 t80 -82.24 26.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -61.31 172.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -75.39 165.87 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -99.37 -11.82 20.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -107.43 -58.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -87.74 -9.59 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 54.38 43.35 30.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -117.33 147.05 39.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 88.34 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.4 mt -42.84 -71.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.65 -95.45 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' LYS . 36.8 p -125.5 -23.88 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.145 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.9 mmmt -33.95 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 m -70.26 74.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -87.77 164.98 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.766 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -108.22 105.12 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.6 Cg_endo -69.78 118.32 5.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.304 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.7 ttmm -86.04 154.82 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.37 -69.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -118.78 26.55 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' LYS . 52.8 mt-30 -153.09 174.91 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.94 138.24 43.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -144.67 139.02 27.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.01 -176.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.682 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 23.6 t -66.12 -50.07 52.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.682 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.76 -28.81 24.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.61 -48.37 12.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.1 t80 -59.05 -32.58 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.85 -41.95 99.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' HD11 ' A' ' 15' ' ' ILE . 33.8 t -64.61 161.17 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mm100 -109.49 -34.64 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.31 -69.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.69 -12.12 43.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 60.54 45.5 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -116.37 134.65 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 m -47.54 113.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HB3' ' A' ' 21' ' ' LYS . 59.6 mt -79.23 117.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.6 mmt -68.59 154.58 94.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.25 36.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.05 53.69 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -82.5 157.57 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.7 141.03 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HB3' HG21 ' A' ' 15' ' ' ILE . 16.0 pttm -124.33 167.29 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -111.41 102.97 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.36 112.27 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -140.25 122.72 16.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 40.03 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.09 -39.34 2.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 63.5 m -76.48 162.11 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 m -126.75 154.96 43.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 22.1 m-90 -141.01 124.72 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.1 m80 -45.82 145.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -44.08 -22.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 35' ' ' ILE . 14.0 p -103.7 -55.98 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 55.2 m -40.67 -23.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' THR . 37.8 t80 -81.34 24.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 32' ' ' THR . 2.6 pp -54.86 178.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.0 t -84.08 169.03 15.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -102.79 -14.27 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -105.54 -52.79 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.3 p -93.9 -12.28 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.78 43.51 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -114.5 147.92 39.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.99 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.7 mt -47.73 -60.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.28 -108.97 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -132.14 41.5 3.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 43.1 pttt -112.15 153.77 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' LYS . 42.6 m -35.1 106.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -147.14 149.21 32.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.882 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -103.5 104.85 44.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.79 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -84.88 150.39 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 46.3 m-20 -30.34 -69.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -117.06 30.58 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 26.2 mt-30 -156.42 178.32 10.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.77 132.41 32.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -141.6 134.83 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.32 -177.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.676 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 26.9 t -65.71 -50.04 57.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.81 -19.3 36.04 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.282 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.7 m -92.58 -62.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.882 ' CE2' HG21 ' A' ' 49' ' ' ILE . 71.2 t80 -43.64 -38.9 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' OE1' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.89 -38.45 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 9.2 mmmm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 15' ' ' ILE . 54.0 t -77.81 163.16 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 1.8 mp0 -110.91 -30.3 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.8 tm-20 -65.26 -60.48 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.28 2.53 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.72 40.1 29.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -111.07 140.2 45.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -54.54 114.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 8' ' ' CYS . 56.6 mt -78.16 96.44 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 28.5 mmt -46.79 145.27 3.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.548 0.69 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.06 55.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 8.4 t -169.95 159.71 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.157 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -84.87 113.18 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -113.45 169.21 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.9 mmm -117.33 112.34 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.98 112.33 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' PRO . 10.2 t80 -133.97 115.19 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt 63.45 42.7 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.0 -39.22 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 16.9 m -76.23 152.17 36.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.6 p -117.04 157.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.2 m-90 -143.22 134.23 25.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -56.78 157.71 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.62 -27.07 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' ILE . 69.1 p -97.29 -15.04 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 65.5 m -90.84 -26.13 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' OD1' ' A' ' 55' ' ' ASN . 48.0 t80 -81.79 27.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.18 168.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.3 t -73.52 166.75 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -104.08 -15.45 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -98.68 -53.07 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.9 p -94.64 -15.0 24.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 59.75 43.55 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -118.9 146.48 40.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 79.89 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -38.51 -66.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.82 -112.12 3.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 p -122.28 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.53 170.96 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.7 p -52.32 104.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -147.53 147.69 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -105.24 109.13 62.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.556 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.7 Cg_endo -69.83 120.2 7.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.3 tptm -89.12 151.83 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' LYS . 13.5 m-20 -30.64 -67.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.03 28.96 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 93.5 mt-30 -152.64 176.48 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' A' ' 34' ' ' PHE . 1.3 m-80 -134.74 122.53 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.57 130.87 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.34 -176.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.634 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 t -66.91 -52.22 33.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -16.2 37.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.1 m -92.66 -53.75 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 49' ' ' ILE . 57.8 t80 -59.03 -44.84 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 15' ' ' ILE . 42.7 t -78.61 161.99 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' HB3' ' CE2' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -106.67 -34.08 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 11.0 tp10 -64.37 -70.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -84.15 -13.1 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 62.9 42.41 7.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -115.8 137.23 52.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -51.02 111.67 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 8' ' ' CYS . 59.0 mt -76.94 115.76 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.9 mmt -67.03 151.17 97.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.547 0.689 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -12.11 32.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.83 -39.31 21.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -88.8 157.03 18.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 155.36 24.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' HG21 ' A' ' 15' ' ' ILE . 14.3 pttm -146.26 165.89 27.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.5 mmm -116.69 105.18 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.91 115.01 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.39 115.02 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp 63.62 47.72 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.7 -45.53 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.481 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.8 m -76.15 162.26 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.5 ' C ' ' CE3' ' A' ' 29' ' ' TRP . 3.0 t -127.68 168.21 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CE3' ' C ' ' A' ' 28' ' ' SER . 11.3 m-90 -144.78 127.14 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.2 m80 -47.47 145.21 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -39.9 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.8 p -102.62 -55.83 2.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 54.4 m -40.42 -24.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' THR . 35.5 t80 -82.07 21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -50.15 -176.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.4 t -88.29 166.78 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -99.9 -9.8 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -109.29 -58.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -88.83 -9.97 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 54.66 44.75 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -116.31 149.04 42.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.1 mt -48.36 -63.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.99 -115.61 5.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -129.54 41.63 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.6 pttp -112.17 155.14 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' LYS . 13.7 m -35.38 109.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -148.14 145.94 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.69 103.45 16.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.9 tptp -85.02 154.69 21.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -33.19 -66.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.71 27.54 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.436 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 34.3 mt-30 -151.05 178.26 9.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASN . . . . . 0.411 ' OD1' ' CE1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -138.07 127.35 24.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -135.28 134.7 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -65.89 -177.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.678 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.3 t -65.4 -50.15 59.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -23.79 30.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -86.08 -59.46 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 1.062 ' CE2' HG21 ' A' ' 49' ' ' ILE . 62.1 t80 -52.3 -51.52 58.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -47.62 -42.49 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 mttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.4 t -74.48 162.48 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 mm100 -110.4 -34.37 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.76 -66.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -95.59 -4.69 44.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 61.17 34.96 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -104.25 144.18 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -58.13 121.82 11.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 8' ' ' CYS . 66.0 mt -84.74 106.74 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.526 ' O ' HG22 ' A' ' 19' ' ' THR . 32.8 mmt -58.98 152.34 50.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.42 37.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.35 58.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 16' ' ' MET . 13.1 t -173.83 153.76 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -91.42 115.02 27.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 15' ' ' ILE . 16.4 pttm -109.47 171.55 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -113.31 104.87 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -84.86 115.77 22.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -141.22 119.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm 60.73 44.49 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.22 -42.76 2.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 73.3 m -76.37 157.47 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -122.4 160.83 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 12.0 m-90 -141.17 127.44 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 31.5 m80 -50.59 154.14 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.19 -24.47 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -102.39 1.17 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -104.84 -27.51 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -80.97 14.34 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.6 pp -47.43 175.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.4 t -77.69 166.32 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -99.77 -13.83 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -105.62 -58.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -87.66 -8.8 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 52.76 44.3 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -117.47 147.57 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 68.7 mt -39.49 -61.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.01 -116.47 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.5 p -127.76 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -111.32 168.3 9.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 m -52.62 108.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -143.34 144.11 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.716 HG21 ' CZ ' ' A' ' 61' ' ' TYR . 4.1 mp -96.92 103.43 14.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.8 121.8 8.47 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.349 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.0 ttmt -91.22 155.28 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 51' ' ' LYS . 33.3 m-20 -31.12 -70.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.443 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 1.5 m120 -119.12 28.1 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 53' ' ' ASN . 45.9 mt-30 -151.66 169.28 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -134.04 125.7 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.78 135.38 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.12 -175.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.0 t -66.69 -50.34 45.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.641 0.734 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.75 -21.49 33.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -89.81 -41.82 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.716 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 49.3 t80 -68.8 -51.05 44.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.54 -33.21 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' ILE . 15.7 t -88.11 162.05 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -109.91 -34.43 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.53 -68.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -89.03 -14.63 36.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 63.93 44.94 4.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 134.28 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -43.74 116.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 8' ' ' CYS . 76.5 mt -83.21 99.04 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.6 mmt -43.92 149.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -10.75 29.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 -55.75 3.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -68.98 151.68 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -83.02 148.84 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 15.1 pttm -131.2 171.94 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 34' ' ' PHE . 99.8 mmm -117.48 102.84 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.3 115.28 22.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.98 110.73 8.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttp 63.09 43.19 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.16 -36.8 3.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 26.0 m -75.96 162.51 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.902 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -132.17 159.47 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.6 m-90 -143.89 130.48 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' THR . 4.1 m80 -51.87 143.11 13.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -43.54 -22.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . 1.035 ' O ' HG23 ' A' ' 35' ' ' ILE . 6.8 p -102.96 -41.07 6.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.6 -20.21 45.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 40.1 t80 -84.23 26.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 1.035 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -59.87 177.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 13.1 t -81.37 166.68 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -99.99 -16.78 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -100.42 -61.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.8 -16.93 39.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 61.63 44.44 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -117.76 149.14 44.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.238 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.2 mt -50.91 -64.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.11 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -130.25 41.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 170.38 8.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 108.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -148.32 145.4 28.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -97.41 103.71 17.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.79 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.1 tptm -83.48 152.71 24.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 7.1 m-20 -31.23 -67.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 39.5 t30 -121.11 28.53 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 45.9 mt-30 -153.26 177.48 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -135.6 133.78 38.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -142.58 131.26 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.38 -177.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.684 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.4 t -65.94 -49.9 55.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.72 -25.68 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.29 -54.59 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.795 ' CE2' HG21 ' A' ' 49' ' ' ILE . 78.1 t80 -55.48 -52.29 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.52 -45.08 13.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -51.6 162.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 13.6 mm-40 -107.6 -34.58 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 17.2 tp10 -64.67 -70.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.8 p -84.46 -16.34 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 66.54 39.2 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -110.82 136.25 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 m -51.53 109.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 21' ' ' LYS . 70.3 mt -75.0 117.94 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.06 154.01 90.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.71 10.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.83 -67.99 1.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -55.06 155.29 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -91.8 109.3 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HB3' HG21 ' A' ' 15' ' ' ILE . 40.0 pttt -92.8 170.37 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.3 mmm -117.44 108.09 15.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -87.45 116.09 25.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -140.03 118.79 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt 61.36 35.69 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.32 -33.78 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 35.0 m -76.4 159.17 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.872 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -122.2 152.06 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 17.2 m-90 -142.7 125.09 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.2 m80 -48.22 147.39 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.7 -22.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.7 p -105.27 -54.6 2.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 58.8 m -41.87 -22.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 27.1 t80 -82.0 24.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -59.56 174.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 15.6 t -79.0 164.97 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -96.66 -10.91 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -108.94 -63.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.83 -9.32 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 52.67 45.27 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.37 147.81 46.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 85.69 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.8 mt -42.48 -69.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.5 -86.54 0.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 46' ' ' LYS . 30.5 p -127.66 -34.21 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.0 mttm -33.46 128.58 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 58' ' ' VAL . 72.0 m -48.83 112.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -124.61 162.02 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.0 mp -102.92 106.21 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.6 tptt -86.37 154.6 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -32.55 -66.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -121.04 27.81 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.68 -179.88 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.69 137.95 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -145.03 141.13 28.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -71.25 -177.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 47' ' ' SER . 54.5 t -66.75 -49.66 48.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -13.65 34.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.7 m -97.87 -61.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 50.5 t80 -43.95 -35.54 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.74 -43.17 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' N ' ' HE3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 15' ' ' ILE . 40.6 t -86.82 162.34 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -108.45 -33.27 7.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 3.2 tp10 -61.38 -68.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.43 4.44 53.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 50.53 42.29 26.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -112.46 144.95 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -58.52 117.65 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 8' ' ' CYS . 78.7 mt -79.83 95.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 19' ' ' THR . 33.1 mmt -43.56 148.8 0.66 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.86 34.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.0 57.7 4.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 16' ' ' MET . 5.8 t -175.0 160.84 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -96.57 117.62 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 15' ' ' ILE . 1.9 pttm -104.35 169.36 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 99.5 mmm -112.83 102.8 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -86.99 114.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.7 115.22 13.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.4 40.98 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.24 -37.8 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 48.8 m -76.39 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -127.86 158.28 38.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.0 m-90 -143.52 131.2 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.4 m80 -49.75 141.69 9.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 32' ' ' THR . 5.5 pt-20 -40.31 -25.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -100.43 -58.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.4 m -39.43 -24.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' THR . 33.3 t80 -80.92 31.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -66.51 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.25 162.22 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -96.88 -8.41 30.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -108.67 -63.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.33 -12.31 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 58.19 43.36 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -120.11 148.91 48.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 87.77 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 48' ' ' PHE . 65.7 mt -41.56 -69.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.37 -116.7 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -126.36 37.96 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -92.38 178.57 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -78.72 60.48 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.5 ' HB3' HG21 ' A' ' 43' ' ' ILE . 16.2 p90 -86.92 145.53 26.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.865 HG21 ' CE2' ' A' ' 61' ' ' TYR . 3.3 mp -95.88 104.15 15.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' ASP . 2.8 tppp? -77.69 154.62 31.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . 15.0 m-20 -33.49 -67.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -118.32 27.6 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.3 mt-30 -154.48 178.95 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -132.24 149.28 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -157.08 136.71 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.22 -175.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.651 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 20.4 t -66.55 -51.62 40.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.78 -21.98 32.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.0 m -86.09 -52.53 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.865 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.1 t80 -55.92 -52.38 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -50.11 -42.05 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.642 ' HA ' HD11 ' A' ' 15' ' ' ILE . 41.0 t -65.94 162.26 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 16.0 mm-40 -107.19 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -61.94 -72.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.51 -11.32 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.46 46.74 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -118.84 134.46 55.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.4 m -46.96 111.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 8' ' ' CYS . 65.9 mt -74.99 120.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 19' ' ' THR . 34.9 mmt -75.49 152.91 85.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -11.23 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.77 39.31 3.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 16' ' ' MET . 14.8 t -167.84 151.46 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -87.34 120.62 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -107.61 162.29 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.52 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 95.0 mmm -103.49 105.08 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.46 113.57 21.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -139.25 115.23 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttt 63.78 39.54 8.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.36 -30.24 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 46.7 m -81.79 162.28 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.9 m -128.28 156.2 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.3 m-90 -142.52 126.28 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.6 m80 -46.49 141.76 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -39.05 -26.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -99.01 -59.13 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.3 m -39.84 -23.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 32.7 t80 -81.25 23.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' THR . 2.1 pp -49.24 -178.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.78 166.56 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -100.18 -7.35 24.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -112.6 -54.81 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.04 -4.14 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 49.3 43.82 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -112.68 146.74 35.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.71 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 48' ' ' PHE . 48.7 mt -46.66 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.45 -112.25 4.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -132.77 41.78 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 171.77 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -51.15 107.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.406 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.8 p90 -146.03 143.82 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.842 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -96.22 103.96 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.45 5.69 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.1 tppt? -83.72 154.37 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' LYS . 42.9 m-20 -33.44 -67.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -119.21 27.46 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.429 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 67.1 mt-30 -152.04 -178.59 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -141.18 124.65 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.08 135.17 45.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.45 -176.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.63 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.7 t -67.25 -52.62 28.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -17.47 37.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.617 2.211 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.45 -49.01 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.842 ' CE2' HG21 ' A' ' 49' ' ' ILE . 53.2 t80 -58.71 -32.24 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.61 -30.86 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 11.5 t -79.95 162.82 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 14.0 mm-40 -109.85 -34.74 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -59.47 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.26 11.15 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 43.39 46.82 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 147.74 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -62.87 110.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 21' ' ' LYS . 65.9 mt -78.79 110.93 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 34.6 mmt -59.9 154.7 47.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.67 5.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 14.9 t -82.64 154.85 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -86.88 145.92 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.5 pttm -134.01 164.21 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' MET . . . . . 0.524 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 82.4 mmm -108.33 107.17 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.35 111.79 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t80 -137.48 124.01 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 29.6 mtpt 57.02 42.69 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.98 -39.14 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 59.0 m -76.6 158.77 30.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 13.7 m-90 -144.01 133.64 23.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' THR . 15.6 m80 -52.26 140.14 22.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.3 pt-20 -35.53 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' ILE . 41.2 p -94.71 -57.68 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.7 m -39.95 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 35.7 t80 -80.84 29.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.94 170.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.9 t -72.98 165.59 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -99.87 -16.86 17.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 -100.25 -61.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -84.39 -16.94 40.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 61.76 44.26 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -119.45 146.86 42.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.26 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 48' ' ' PHE . 73.5 mt -49.01 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.53 -110.77 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 40.11 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.157 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -111.36 161.65 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -42.38 109.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.6 p90 -148.02 146.61 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ILE . . . . . 0.828 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -100.71 103.54 25.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.73 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -87.91 150.89 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' LYS . 10.9 m-20 -30.45 -70.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 35.6 t30 -117.37 30.51 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 51.5 mt-30 -156.39 175.63 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -138.27 130.7 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.82 132.13 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.92 -177.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.683 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.8 t -66.29 -49.77 52.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.76 -17.42 37.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.47 -54.5 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 49' ' ' ILE . 39.8 t80 -52.5 -51.34 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.54 -44.31 25.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -92.8 -60.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -49.5 -45.52 47.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 101.37 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -83.54 37.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 p -121.46 161.93 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.24 151.27 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 25.4 t -88.36 162.42 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.8 mm-40 -106.56 -35.63 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 6.9 tm-20 -61.93 -72.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' LYS . 28.9 p -92.76 14.4 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 38.0 mmtt 36.8 47.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -111.3 162.75 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.8 m -75.9 109.52 9.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 8' ' ' CYS . 48.4 mt -77.7 107.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mmt -58.21 150.65 51.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -9.97 27.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -46.17 6.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -75.08 160.97 29.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -85.95 143.03 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.3 pttm -134.93 159.04 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 mmm -109.62 104.6 13.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.11 116.11 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -136.72 110.05 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttm 63.9 44.15 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.03 -34.37 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 14.0 m -77.61 162.57 26.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -131.83 152.07 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 19.3 m-90 -138.43 127.56 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 18.5 m80 -48.08 138.68 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -38.41 -27.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' ILE . 82.1 p -97.53 -55.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.6 m -43.56 -21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 65.1 t80 -82.28 21.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.58 177.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.1 t -80.47 165.37 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 17.3 m80 -100.99 -7.37 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -111.22 -53.84 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.8 -10.36 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.7 43.82 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 74.7 mm-40 -117.1 146.35 37.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 86.52 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 48' ' ' PHE . 28.7 mt -51.14 -55.62 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.29 -116.66 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.8 p -119.7 86.56 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -160.63 173.52 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -53.62 100.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' A' ' 43' ' ' ILE . 2.7 p90 -144.21 144.51 31.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -99.27 104.7 28.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.81 117.76 5.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.2 tptt -83.96 153.75 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' LYS . 3.6 m-20 -32.99 -67.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.33 28.33 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.441 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 31.2 mt-30 -153.55 -178.21 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.6 m-20 -140.93 130.41 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -138.98 134.48 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.86 -177.33 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.644 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 12.3 t -66.02 -51.89 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.76 -27.62 26.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.3 m -80.22 -53.85 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 49' ' ' ILE . 25.4 t80 -53.83 -50.54 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 31.1 mm-40 -46.27 -44.69 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -57.89 -39.25 77.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.92 -41.39 95.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 62' ' ' GLU . 7.6 p80 -110.99 42.44 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -126.07 156.29 40.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ALA . 6.4 t -34.59 99.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 82.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.3 25.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.336 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 m -88.32 119.23 28.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -160.47 122.12 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.518 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -72.8 116.16 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -85.82 136.12 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.3 158.89 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -139.57 136.61 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.375 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 34.4 m -125.74 112.71 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.25 156.85 15.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 7.2 t -78.36 162.47 26.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mp0 -109.55 -35.45 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.18 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -96.91 5.38 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 47.26 47.35 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -118.08 146.82 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.0 m -60.48 114.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.83 95.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 19' ' ' THR . 28.8 mmt -45.92 153.41 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.83 23.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.95 -53.66 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 16' ' ' MET . 12.2 t -57.03 153.9 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.166 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -88.93 124.63 34.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' NZ ' ' CB ' ' A' ' 6' ' ' SER . 48.7 pttt -119.25 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -113.85 108.6 17.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.35 114.2 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -136.67 121.42 18.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 59.67 30.82 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.62 -37.73 3.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.493 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.3 m -76.59 162.08 28.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -123.71 159.06 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 13.8 m-90 -142.95 128.3 18.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -50.46 149.15 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.34 -20.06 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.6 p -104.16 -14.17 15.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.8 m -90.5 -24.13 20.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 43.0 t80 -81.45 18.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -58.55 169.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.514 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.5 t -73.07 167.67 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.2 m-70 -101.84 -17.64 16.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.04 -56.98 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -88.65 -13.29 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 56.64 44.92 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -119.72 145.06 38.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 48' ' ' PHE . 52.6 mt -37.65 -67.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.83 -87.16 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 56.7 p -132.03 -39.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -33.46 146.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.9 m -43.03 121.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.587 ' HB3' HG21 ' A' ' 43' ' ' ILE . 9.1 p90 -148.1 140.72 24.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.973 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -96.68 104.12 16.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.04 6.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 36.0 tptt -84.81 154.86 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.8 m-20 -33.06 -66.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -119.61 27.42 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.506 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 61.0 mt-30 -153.42 178.43 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.596 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -136.67 128.73 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.79 128.89 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.84 -176.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.64 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 9.8 t -65.63 -51.57 49.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.118 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.5 m -87.34 -59.93 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.973 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.9 t80 -49.67 -56.03 11.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -44.5 -44.42 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -60.47 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.7 -54.81 28.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -59.48 -45.61 91.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.78 83.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -38.42 122.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.73 -65.97 1.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.58 35.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.1 p -88.19 -46.78 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -80.04 177.06 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.517 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -172.87 135.59 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -107.27 149.56 27.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.85 98.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 p -89.45 -51.03 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -92.95 81.52 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.57 154.41 19.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.1 t -78.73 162.4 26.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 4.1 mm100 -109.95 -34.82 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.85 -65.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.35 -4.93 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt 61.57 32.22 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.74 144.86 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.3 m -62.96 119.1 8.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.9 mt -83.83 125.31 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -74.24 152.97 88.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.75 31.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -79.2 156.28 28.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -88.29 124.05 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 15' ' ' ILE . 12.4 pttp -110.56 168.59 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.2 mmm -114.3 108.78 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.54 114.71 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -138.41 116.65 11.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.18 37.51 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -40.79 3.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.452 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 m -76.52 162.27 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -124.18 158.62 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 12.6 m-90 -141.91 127.69 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.583 ' CE1' HG12 ' A' ' 15' ' ' ILE . 36.6 m80 -49.67 148.45 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.34 -17.51 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.8 p -106.91 -11.52 15.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.89 -24.02 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.2 t80 -81.65 16.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -51.06 171.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.2 t -74.51 167.15 22.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.503 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m170 -102.25 -13.2 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -105.08 -54.69 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.38 -5.88 48.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 50.56 43.7 27.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -115.01 145.48 34.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 80.24 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.4 mt -41.29 -56.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 -113.22 4.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.3 p -119.87 85.78 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -163.17 156.59 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -41.47 105.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -144.33 142.08 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.72 105.99 30.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.77 120.14 6.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.9 tptm -86.69 153.62 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.8 m-20 -32.48 -67.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -120.84 28.82 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.503 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 86.9 mt-30 -153.86 176.05 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -134.49 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 98.2 m-85 -138.25 133.94 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -65.56 -178.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.677 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.0 t -66.05 -50.1 53.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.73 -16.28 37.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.01 -53.72 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 49' ' ' ILE . 41.2 t80 -59.3 -50.32 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -52.55 -37.54 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -67.54 -62.75 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.484 ' NE2' ' CD1' ' A' ' 56' ' ' PHE . 7.3 pt20 -56.72 -25.28 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.3 -48.57 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.94 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 t -126.73 115.54 19.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.28 -75.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 174.54 9.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -115.94 82.0 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -73.05 121.72 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -100.04 42.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -156.54 143.11 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.26 163.82 27.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 t -79.66 123.81 27.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -90.49 -73.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.03 144.54 5.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.5 t -79.66 162.41 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 5.4 mm100 -107.34 -32.71 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -64.24 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.09 1.97 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 53.99 35.48 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.07 145.74 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.7 m -62.69 111.4 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CE1' ' A' ' 30' ' ' HIS . 61.9 mt -72.29 102.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.591 ' O ' HG22 ' A' ' 19' ' ' THR . 31.0 mmt -56.12 154.27 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 169.58 18.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.78 -55.79 5.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 16' ' ' MET . 11.9 t -58.48 151.59 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -85.49 110.99 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -106.58 167.73 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.401 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 78.7 mmm -109.85 115.17 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -93.6 116.84 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 62.2 t80 -137.32 118.15 14.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 3.6 mptt 55.46 46.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.43 -35.35 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.59 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.4 m -75.87 162.84 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.408 ' OG ' HD12 ' A' ' 15' ' ' ILE . 74.8 p -125.39 158.46 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 15.6 m-90 -144.55 123.42 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' HG12 ' A' ' 15' ' ' ILE . 17.6 m80 -45.85 158.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 32' ' ' THR . 3.6 pt-20 -64.45 -19.21 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.632 HG23 ' HG3' ' A' ' 31' ' ' GLU . 63.1 p -108.61 -3.76 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 45.7 m -100.01 -22.83 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 30.8 t80 -83.26 25.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -62.3 166.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -70.74 167.27 19.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.7 m80 -101.89 -14.05 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -103.42 -56.02 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.6 -10.74 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -114.33 144.25 31.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -44.82 -61.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.22 -110.32 3.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 p -125.1 84.48 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -162.11 164.6 27.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.4 p -42.42 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -148.09 143.72 27.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.7 mp -102.18 104.14 34.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.98 5.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 52' ' ' ASP . 4.0 tppt? -84.95 152.04 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' LYS . 31.7 m-20 -31.14 -68.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -119.36 29.07 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.7 mt-30 -152.84 -179.86 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -140.27 127.62 21.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.15 131.22 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.76 -175.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.642 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 7.0 t -66.2 -51.78 42.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 -26.92 26.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.2 m -81.91 -51.52 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 55.1 t80 -54.35 -52.33 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.14 -46.54 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -53.35 -50.95 63.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.52 -58.75 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -44.78 -50.58 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.72 113.03 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 t -85.21 -53.42 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.44 -164.53 22.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.9 4.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.5 m -46.24 166.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.42 45.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 3' ' ' SER . 25.2 p -125.1 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 2' ' ' SER . 42.6 m -35.49 -43.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.8 -50.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -81.43 105.34 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' CB ' ' HE3' ' A' ' 21' ' ' LYS . 4.2 m -72.22 115.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 142.86 17.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' HD11 ' A' ' 15' ' ' ILE . 45.5 t -68.37 163.24 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -109.99 -28.46 8.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.84 -62.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.36 11.08 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 41.32 46.11 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -111.35 160.08 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.4 m -75.48 107.48 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 21' ' ' LYS . 27.4 mt -74.55 104.72 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.5 mmt -54.02 147.87 23.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.72 14.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.28 9.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 t -85.03 156.16 21.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 6.0 mmm180 -89.35 120.11 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HB3' HG21 ' A' ' 15' ' ' ILE . 11.6 pttm -105.64 168.75 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -112.51 104.82 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.36 114.07 24.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -138.33 124.64 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt 58.96 32.82 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.85 -38.42 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.576 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 59.3 m -76.87 162.19 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -126.36 155.32 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 16.9 m-90 -141.79 122.83 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 15' ' ' ILE . 20.8 m80 -45.87 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.21 -15.07 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.2 p -111.91 -7.2 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -95.92 -23.72 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -81.75 17.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.05 170.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.18 168.8 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.3 m80 -102.89 -15.11 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -103.43 -54.93 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.35 -7.63 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 52.87 43.68 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -112.95 146.7 35.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 80.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 46' ' ' LYS . 61.6 mt -45.43 -55.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.74 -116.21 4.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.0 p -120.9 86.33 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 43' ' ' ILE . 27.6 pttt -160.06 176.33 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -55.65 105.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.46 147.59 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.976 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -102.29 104.03 34.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.3 Cg_endo -69.75 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.3 tptp -85.06 154.64 21.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.42 -67.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.32 27.52 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 31.9 mt-30 -152.93 179.44 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -140.06 130.16 24.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.71 134.43 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.4 -177.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.635 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 11.2 t -66.49 -51.78 39.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.76 -21.72 33.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.0 m -87.84 -56.92 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.976 ' CE2' HG21 ' A' ' 49' ' ' ILE . 54.1 t80 -49.32 -34.7 16.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -56.02 -44.49 78.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -48.6 -48.54 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.37 -54.62 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -50.99 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.6 115.38 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -124.75 177.28 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.22 176.86 23.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 6.95 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 m -73.05 64.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 t -114.77 -52.42 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.49 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -93.07 109.2 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -143.3 174.29 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.74 102.2 2.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -124.36 103.73 8.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -81.63 -59.18 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.49 139.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.4 t -75.15 163.06 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -107.63 -34.73 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.73 -66.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.91 10.73 36.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.54 42.82 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -115.32 146.24 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -61.55 119.04 7.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 21' ' ' LYS . 56.1 mt -80.99 96.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.575 ' O ' HG22 ' A' ' 19' ' ' THR . 33.6 mmt -47.77 150.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -17.64 37.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.85 41.23 2.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 16' ' ' MET . 11.0 t -165.62 157.45 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -94.42 120.02 34.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.4 pttp -109.6 170.37 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -113.03 109.62 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.89 117.32 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 2.7 t80 -137.41 112.28 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 26.7 mmtp 63.4 43.94 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 -39.13 2.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 50.8 m -76.02 158.16 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -122.16 155.66 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.4 m-90 -141.82 122.68 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' HG12 ' A' ' 15' ' ' ILE . 26.8 m80 -45.79 158.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.0 pt-20 -63.46 -22.97 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 31' ' ' GLU . 60.6 p -104.55 -2.09 25.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 m -100.42 -26.37 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 48.6 t80 -81.88 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.8 pp -55.83 162.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.4 t -62.36 163.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -96.41 -10.84 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -107.97 -63.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.87 -18.53 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER 64.15 42.09 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -114.93 145.27 33.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.79 79.77 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 48' ' ' PHE . 54.5 mt -37.88 -67.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.85 -123.72 7.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -118.2 41.68 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -112.44 172.64 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -54.07 111.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.1 p90 -147.94 149.48 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -104.89 104.24 45.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.708 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 119.72 6.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.8 tppt? -85.48 153.9 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -32.49 -67.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.71 28.19 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.432 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.75 -179.02 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -140.39 129.93 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -138.94 133.76 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.75 -174.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.657 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 13.7 t -66.74 -51.39 39.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.2 Cg_endo -69.8 -22.5 31.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.7 m -87.38 -52.58 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.894 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.0 t80 -53.33 -50.24 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -49.25 -41.48 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -77.06 -62.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -47.78 -58.49 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -58.36 -56.0 27.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -92.62 101.01 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.8 p -62.71 118.43 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.84 120.49 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 101.83 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.3 t -62.06 143.85 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 m -105.64 95.96 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -112.28 41.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -65.23 88.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.04 82.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p -121.31 124.34 44.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -93.89 169.09 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.19 131.58 2.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 15' ' ' ILE . 18.7 t -71.7 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.523 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 2.9 mp0 -110.0 -36.36 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -60.14 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 30.4 p -90.43 -11.53 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 62.55 43.39 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.02 138.55 51.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.2 m -49.56 117.9 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.2 mt -83.64 114.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.3 mmt -66.72 152.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -13.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.22 -53.04 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -67.13 151.42 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -78.98 137.22 37.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 15' ' ' ILE . 28.1 pttt -131.94 165.4 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 93.3 mmm -117.21 111.46 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -90.36 114.69 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -141.11 123.25 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.45 40.47 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.98 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.589 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.7 m -76.38 161.29 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 m -122.53 160.51 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 14.5 m-90 -144.28 126.67 15.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -49.94 160.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 32' ' ' THR . 18.0 pt-20 -61.84 -33.09 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.9 p -91.01 -21.98 21.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.1 m -82.56 -26.36 32.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 49.3 t80 -83.43 26.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -64.57 165.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.1 t -68.32 163.95 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.8 m80 -99.68 -13.67 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -102.99 -59.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.12 -15.53 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 60.05 44.66 12.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 27.5 mt-30 -117.9 146.7 39.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 80.92 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG23 ' HG2' ' A' ' 46' ' ' LYS . 68.8 mt -39.08 -63.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.22 -113.04 4.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -129.95 40.46 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HG2' HG23 ' A' ' 43' ' ' ILE . 1.1 ptmm? -108.94 172.38 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -56.26 112.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -147.96 146.47 28.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.961 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -97.8 105.75 29.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.8 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.301 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.3 tppp? -86.0 151.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.9 m-20 -29.6 -67.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 10.5 p30 -121.48 28.97 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.4 mt-30 -152.46 175.4 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.6 m-80 -135.01 125.94 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.8 131.52 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.28 -177.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.669 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 22.2 t -65.79 -50.26 55.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -21.95 32.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.35 -58.49 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.961 ' CE2' HG21 ' A' ' 49' ' ' ILE . 65.0 t80 -48.85 -52.46 24.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 68.8 mm-40 -44.58 -42.92 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -69.93 -56.75 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -49.75 -56.0 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 85.4 t60 -80.4 43.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -143.93 149.47 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -53.89 155.46 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.56 -173.27 39.02 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.32 4.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 t -109.52 160.44 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 t -110.47 -55.63 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.46 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -126.42 -46.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -83.21 -51.2 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.62 171.01 15.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -108.37 -63.3 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -88.03 150.34 23.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 168.71 24.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 32.9 t -92.12 162.4 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.0 mp0 -109.96 -33.15 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.09 -70.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.66 -10.98 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 63.49 45.98 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -120.34 136.02 54.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.1 m -46.78 118.42 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.726 HG21 ' HD3' ' A' ' 21' ' ' LYS . 61.2 mt -84.93 106.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 19' ' ' THR . 31.8 mmt -53.84 155.94 5.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -48.98 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.35 43.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 16' ' ' MET . 14.2 t -67.74 154.08 42.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -94.28 142.79 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HD3' HG21 ' A' ' 15' ' ' ILE . 9.4 pttm -139.88 152.98 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.6 mmm -88.79 157.39 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -131.25 114.38 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 50' ' ' PRO . 42.1 t80 -141.43 148.19 39.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 15.7 mmmt 43.67 36.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.02 -37.46 2.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.9 m -76.34 150.9 36.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 m -108.01 156.6 19.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 10.9 m-90 -140.59 135.93 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CE1' HG12 ' A' ' 15' ' ' ILE . 3.5 m80 -47.96 176.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.79 -26.32 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -110.71 15.78 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 51.5 m -113.28 -24.29 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.55 19.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 35' ' ' ILE . 2.8 pp -50.79 166.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -69.16 166.52 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.9 m-70 -99.22 -17.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -100.25 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 20.5 p -82.35 -18.31 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 62.17 44.12 8.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 39' ' ' CYS . 60.5 mt-30 -119.72 148.43 46.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.404 ' N ' HG22 ' A' ' 35' ' ' ILE . 53.0 Cg_endo -69.85 82.42 0.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -43.76 -56.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.41 -111.46 3.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -125.32 84.63 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -159.69 167.67 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 106.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.81 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.033 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -99.46 105.3 32.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.652 0.739 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.76 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.6 tptp -84.41 154.7 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.58 -67.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 27.6 t-20 -119.29 27.82 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.553 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 74.2 mt-30 -152.8 175.19 13.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -135.53 124.42 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.71 134.19 42.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.37 -176.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.621 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 t -67.01 -52.54 30.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.5 Cg_endo -69.76 -16.75 37.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.17 -51.4 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 1.033 ' CE2' HG21 ' A' ' 49' ' ' ILE . 27.6 t80 -57.47 -42.83 83.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.45 -41.98 61.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -59.99 -49.25 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -53.36 -43.45 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -70.36 -53.5 16.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.13 118.16 19.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 p -118.68 131.99 56.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.75 -86.06 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' SER . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -55.61 84.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' PRO . 13.1 t -126.44 87.67 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.522 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -118.58 103.74 10.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -110.07 138.3 46.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.63 156.76 28.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -54.91 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -120.39 111.02 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.53 150.32 18.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 15' ' ' ILE . 19.6 t -78.98 162.19 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 7.1 mm100 -105.7 -38.47 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.61 -71.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -81.41 -13.39 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 60.69 46.24 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -113.94 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -92.69 111.11 22.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.8 mt -80.49 103.76 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mmt -54.25 146.17 32.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.62 7.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.14 -44.36 5.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 154.98 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -85.11 145.73 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD3' HG21 ' A' ' 15' ' ' ILE . 17.3 pttp -135.99 166.65 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.449 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.8 mmm -104.09 108.48 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.76 112.76 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.4 t80 -140.32 128.89 22.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 7.5 ttpp 53.31 42.97 32.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 -39.93 2.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 67.4 m -76.44 162.31 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -126.75 154.34 44.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 15.6 m-90 -137.27 127.91 26.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -44.61 152.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.87 -24.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 35' ' ' ILE . 7.1 p -101.57 -58.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.6 m -39.3 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' THR . 49.2 t80 -80.6 27.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -57.4 -177.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.9 t -88.35 166.87 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 16.2 m80 -100.83 -11.04 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -107.68 -55.39 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.5 p -91.71 -12.83 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 57.41 43.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -115.67 148.69 41.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 81.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.404 HG21 ' CB ' ' A' ' 48' ' ' PHE . 61.8 mt -46.27 -52.03 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.9 -121.62 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.7 p -115.4 87.09 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.68 173.03 16.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -53.65 102.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CB ' HG21 ' A' ' 43' ' ' ILE . 2.9 p90 -145.69 144.87 30.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.796 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -98.31 104.59 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.55 5.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 9.8 tppt? -87.82 152.45 22.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.46 -67.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -119.78 28.77 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.442 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 49.1 mt-30 -153.47 176.59 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -138.72 126.26 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -134.66 134.73 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.76 -177.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 24.8 t -65.68 -50.47 55.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.71 -25.27 29.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.7 m -84.61 -57.06 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 49' ' ' ILE . 59.6 t80 -51.73 -47.69 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.25 -41.45 65.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.85 -43.77 98.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -47.72 -47.5 30.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -81.13 -56.79 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HB1' ' HG2' ' A' ' 69' ' ' PRO . . . -57.24 108.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -111.04 -49.92 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.472 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -49.2 -59.97 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.7 Cg_endo -69.83 -42.49 3.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.3 m -128.8 110.75 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.5 m -61.24 125.3 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.513 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -95.0 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -113.55 135.18 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 143.2 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -137.4 115.69 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -83.87 -61.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 129.53 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 16.8 t -71.42 162.36 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mp0 -107.49 -35.5 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 4.8 tp10 -60.37 -70.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.79 3.16 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 49.98 46.1 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.04 142.7 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -58.1 117.05 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.6 mt -78.34 96.63 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.678 ' O ' HG22 ' A' ' 19' ' ' THR . 29.0 mmt -43.39 147.32 0.77 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -16.83 37.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.52 43.38 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 16' ' ' MET . 15.0 t -161.56 151.91 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 3.7 ptm85 -82.35 134.31 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -126.33 166.88 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.0 mmm -114.4 115.04 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -89.71 117.45 28.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 4.6 t80 -132.84 103.3 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 13.9 mtpt 63.23 49.45 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.26 -36.65 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 69.0 m -75.8 156.23 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.7 p -120.48 155.21 34.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.9 m-90 -142.18 124.83 15.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.8 m80 -44.78 141.35 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 32' ' ' THR . 12.1 pt-20 -40.7 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 35' ' ' ILE . 35.1 p -100.92 -55.71 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 62.0 m -41.7 -23.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 48.8 t80 -81.47 21.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.89 177.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 t -80.48 165.12 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -97.08 -10.93 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -109.37 -63.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.1 -7.9 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 51.8 44.7 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -118.47 147.67 42.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.57 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -46.61 -64.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.25 -92.56 1.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 18.1 p -122.6 -32.23 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' THR . 10.1 mtmm -33.3 127.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.8 m -48.3 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -117.33 154.79 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.3 mp -96.06 105.84 24.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.0 Cg_endo -69.71 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.3 tptm -86.34 154.3 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' LYS . 38.7 m-20 -32.96 -67.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 33.0 m120 -119.47 27.82 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 37.1 mt-30 -155.28 176.45 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.56 133.29 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.18 36.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -69.63 -176.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 40.6 t -66.91 -50.22 44.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.148 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -16.17 37.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.28 -55.19 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CE2' HG21 ' A' ' 49' ' ' ILE . 60.8 t80 -53.35 -54.1 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -72.46 -50.92 22.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.58 -45.8 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.54 -49.23 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.68 156.79 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -86.99 104.4 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.6 141.17 9.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.9 p 41.51 40.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.1 p -124.95 156.95 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.469 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -66.96 152.25 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -94.97 129.71 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.03 97.6 1.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -114.84 -51.36 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.427 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . 2.1 m -77.79 147.74 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.65 124.85 3.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -49.3 162.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 7.0 mm-40 -109.11 -34.5 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 tm-20 -61.96 -71.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.56 -12.4 45.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.32 43.42 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -115.71 135.36 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.4 m -49.51 112.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 ' HB3' ' A' ' 21' ' ' LYS . 68.8 mt -77.42 109.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.607 ' O ' HG22 ' A' ' 19' ' ' THR . 29.6 mmt -61.08 154.79 59.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.07 32.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.03 47.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 16' ' ' MET . 14.1 t -169.66 156.33 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -93.19 105.5 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' ILE . 7.2 ptpp? -95.63 168.95 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -114.49 102.67 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -91.27 120.79 32.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 9.8 t80 -141.44 117.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 39.9 mmtt 60.5 41.43 15.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.12 -30.58 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 70.6 m -77.41 161.87 27.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -130.95 154.13 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.41 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 20.7 m-90 -143.5 125.75 15.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -47.98 149.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.47 -20.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.855 ' O ' HG23 ' A' ' 35' ' ' ILE . 12.4 p -107.9 -53.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 52.2 m -39.96 -24.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . 19.2 t80 -82.24 26.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -61.31 172.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -75.39 165.87 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.2 m80 -99.37 -11.82 20.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 6.5 ttt-85 -107.43 -58.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -87.74 -9.59 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 2.0 mp0 54.38 43.35 30.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -117.33 147.05 39.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 88.34 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.4 mt -42.84 -71.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.65 -95.45 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' LYS . 36.8 p -125.5 -23.88 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.145 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.9 mmmt -33.95 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 m -70.26 74.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -87.77 164.98 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.766 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -108.22 105.12 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.6 Cg_endo -69.78 118.32 5.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.304 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.7 ttmm -86.04 154.82 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.37 -69.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -118.78 26.55 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' LYS . 52.8 mt-30 -153.09 174.91 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -134.94 138.24 43.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 88.3 m-85 -144.67 139.02 27.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.01 -176.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.682 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 23.6 t -66.12 -50.07 52.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.682 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.76 -28.81 24.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.61 -48.37 12.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.1 t80 -59.05 -32.58 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.85 -41.95 99.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -75.6 -39.54 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 34.4 tt0 -66.03 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -80.13 -49.77 11.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.07 133.15 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 m -89.23 121.0 31.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.97 69.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -13.28 34.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -124.51 85.99 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -126.24 108.64 11.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.46 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -43.66 142.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -92.38 161.2 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.51 146.25 21.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -146.91 155.5 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -136.4 165.69 25.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.8 138.86 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' HD11 ' A' ' 15' ' ' ILE . 33.8 t -64.61 161.17 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mm100 -109.49 -34.64 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.31 -69.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.69 -12.12 43.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 60.54 45.5 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -116.37 134.65 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 m -47.54 113.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HB3' ' A' ' 21' ' ' LYS . 59.6 mt -79.23 117.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.6 mmt -68.59 154.58 94.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.25 36.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.05 53.69 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -82.5 157.57 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.7 141.03 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HB3' HG21 ' A' ' 15' ' ' ILE . 16.0 pttm -124.33 167.29 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -111.41 102.97 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.36 112.27 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -140.25 122.72 16.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 40.03 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.09 -39.34 2.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 63.5 m -76.48 162.11 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 m -126.75 154.96 43.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 22.1 m-90 -141.01 124.72 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.1 m80 -45.82 145.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -44.08 -22.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 35' ' ' ILE . 14.0 p -103.7 -55.98 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 55.2 m -40.67 -23.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' THR . 37.8 t80 -81.34 24.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 32' ' ' THR . 2.6 pp -54.86 178.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.0 t -84.08 169.03 15.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 11.3 m80 -102.79 -14.27 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -105.54 -52.79 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.3 p -93.9 -12.28 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.78 43.51 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -114.5 147.92 39.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.99 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.7 mt -47.73 -60.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.28 -108.97 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -132.14 41.5 3.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 43.1 pttt -112.15 153.77 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' LYS . 42.6 m -35.1 106.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -147.14 149.21 32.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.882 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -103.5 104.85 44.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.79 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -84.88 150.39 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 46.3 m-20 -30.34 -69.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.1 m120 -117.06 30.58 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 26.2 mt-30 -156.42 178.32 10.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -137.77 132.41 32.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -141.6 134.83 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.32 -177.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.676 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 26.9 t -65.71 -50.04 57.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.81 -19.3 36.04 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.282 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.7 m -92.58 -62.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.882 ' CE2' HG21 ' A' ' 49' ' ' ILE . 71.2 t80 -43.64 -38.9 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.59 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -58.89 -38.45 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 9.2 mmmm -66.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -60.0 -41.66 92.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 62' ' ' GLU . 7.0 p80 -85.86 -41.35 15.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 65' ' ' HIS . . . -50.29 141.0 12.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -96.75 142.61 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.2 -106.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 102.36 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.5 p -79.64 113.64 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 p -87.22 42.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.452 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -79.41 122.83 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -83.88 -57.87 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.25 126.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -95.67 132.68 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -89.1 -60.04 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.81 132.67 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 15' ' ' ILE . 54.0 t -77.81 163.16 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.475 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 1.8 mp0 -110.91 -30.3 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.8 tm-20 -65.26 -60.48 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.28 2.53 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.72 40.1 29.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -111.07 140.2 45.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -54.54 114.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 8' ' ' CYS . 56.6 mt -78.16 96.44 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 28.5 mmt -46.79 145.27 3.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.548 0.69 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.06 55.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 8.4 t -169.95 159.71 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.157 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -84.87 113.18 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -113.45 169.21 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.9 mmm -117.33 112.34 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.98 112.33 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' PRO . 10.2 t80 -133.97 115.19 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt 63.45 42.7 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.0 -39.22 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 16.9 m -76.23 152.17 36.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 9.6 p -117.04 157.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.2 m-90 -143.22 134.23 25.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -56.78 157.71 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.62 -27.07 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' ILE . 69.1 p -97.29 -15.04 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 65.5 m -90.84 -26.13 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' OD1' ' A' ' 55' ' ' ASN . 48.0 t80 -81.79 27.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.18 168.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.3 t -73.52 166.75 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -104.08 -15.45 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -98.68 -53.07 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.9 p -94.64 -15.0 24.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 59.75 43.55 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -118.9 146.48 40.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 79.89 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -38.51 -66.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.82 -112.12 3.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 p -122.28 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.53 170.96 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.7 p -52.32 104.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -147.53 147.69 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -105.24 109.13 62.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.556 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.7 Cg_endo -69.83 120.2 7.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.3 tptm -89.12 151.83 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' LYS . 13.5 m-20 -30.64 -67.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.03 28.96 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 93.5 mt-30 -152.64 176.48 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.515 ' OD1' ' CE1' ' A' ' 34' ' ' PHE . 1.3 m-80 -134.74 122.53 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.57 130.87 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.34 -176.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.634 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 t -66.91 -52.22 33.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -16.2 37.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.1 m -92.66 -53.75 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 49' ' ' ILE . 57.8 t80 -59.03 -44.84 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -83.75 -61.68 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.13 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 61' ' ' TYR . 67.4 t60 -72.1 -67.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.0 169.62 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -54.23 151.39 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.21 140.34 3.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 86.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -110.33 112.18 23.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.1 m -53.15 167.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.502 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -83.51 47.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 m -123.89 164.62 18.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.64 -114.65 0.43 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 p -155.04 164.7 38.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -59.23 -66.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.85 139.18 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 15' ' ' ILE . 42.7 t -78.61 161.99 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' HB3' ' CE2' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -106.67 -34.08 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 11.0 tp10 -64.37 -70.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -84.15 -13.1 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 62.9 42.41 7.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -115.8 137.23 52.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -51.02 111.67 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 8' ' ' CYS . 59.0 mt -76.94 115.76 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.9 mmt -67.03 151.17 97.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.547 0.689 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -12.11 32.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.83 -39.31 21.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -88.8 157.03 18.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 155.36 24.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' HG21 ' A' ' 15' ' ' ILE . 14.3 pttm -146.26 165.89 27.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.5 mmm -116.69 105.18 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.91 115.01 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.39 115.02 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp 63.62 47.72 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.7 -45.53 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.481 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.8 m -76.15 162.26 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.5 ' C ' ' CE3' ' A' ' 29' ' ' TRP . 3.0 t -127.68 168.21 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CE3' ' C ' ' A' ' 28' ' ' SER . 11.3 m-90 -144.78 127.14 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.2 m80 -47.47 145.21 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -39.9 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.8 p -102.62 -55.83 2.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 54.4 m -40.42 -24.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.479 ' N ' ' O ' ' A' ' 32' ' ' THR . 35.5 t80 -82.07 21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -50.15 -176.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.4 t -88.29 166.78 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 10.9 m80 -99.9 -9.8 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -109.29 -58.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -88.83 -9.97 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 54.66 44.75 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -116.31 149.04 42.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.1 mt -48.36 -63.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.99 -115.61 5.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -129.54 41.63 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.6 pttp -112.17 155.14 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' LYS . 13.7 m -35.38 109.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -148.14 145.94 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.69 103.45 16.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.9 tptp -85.02 154.69 21.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -33.19 -66.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.71 27.54 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.436 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 34.3 mt-30 -151.05 178.26 9.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASN . . . . . 0.411 ' OD1' ' CE1' ' A' ' 34' ' ' PHE . 0.3 OUTLIER -138.07 127.35 24.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -135.28 134.7 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -65.89 -177.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.678 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.3 t -65.4 -50.15 59.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -23.79 30.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -86.08 -59.46 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 1.062 ' CE2' HG21 ' A' ' 49' ' ' ILE . 62.1 t80 -52.3 -51.52 58.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -47.62 -42.49 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -63.31 -62.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -47.92 -36.39 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -68.85 -37.29 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -106.5 36.5 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ALA . 82.3 p 34.76 42.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.38 166.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 105.56 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -112.96 123.14 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -46.75 145.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -102.62 177.2 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -138.04 142.03 40.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.58 105.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -156.41 134.42 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -153.55 169.63 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.63 134.64 7.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.4 t -74.48 162.48 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 mm100 -110.4 -34.37 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.76 -66.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -95.59 -4.69 44.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 61.17 34.96 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -104.25 144.18 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -58.13 121.82 11.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 8' ' ' CYS . 66.0 mt -84.74 106.74 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.526 ' O ' HG22 ' A' ' 19' ' ' THR . 32.8 mmt -58.98 152.34 50.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.42 37.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.35 58.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 16' ' ' MET . 13.1 t -173.83 153.76 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -91.42 115.02 27.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 15' ' ' ILE . 16.4 pttm -109.47 171.55 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -113.31 104.87 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -84.86 115.77 22.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -141.22 119.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm 60.73 44.49 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.22 -42.76 2.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 73.3 m -76.37 157.47 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -122.4 160.83 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 12.0 m-90 -141.17 127.44 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 31.5 m80 -50.59 154.14 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.19 -24.47 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -102.39 1.17 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -104.84 -27.51 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -80.97 14.34 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.6 pp -47.43 175.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.4 t -77.69 166.32 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.4 m80 -99.77 -13.83 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -105.62 -58.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -87.66 -8.8 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 52.76 44.3 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -117.47 147.57 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 68.7 mt -39.49 -61.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.01 -116.47 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.5 p -127.76 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -111.32 168.3 9.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 m -52.62 108.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -143.34 144.11 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.716 HG21 ' CZ ' ' A' ' 61' ' ' TYR . 4.1 mp -96.92 103.43 14.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.8 121.8 8.47 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.349 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.0 ttmt -91.22 155.28 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 51' ' ' LYS . 33.3 m-20 -31.12 -70.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 1.5 m120 -119.12 28.1 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.443 ' HG3' ' C ' ' A' ' 53' ' ' ASN . 45.9 mt-30 -151.66 169.28 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -134.04 125.7 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.78 135.38 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.12 -175.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.0 t -66.69 -50.34 45.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.641 0.734 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.75 -21.49 33.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -89.81 -41.82 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.716 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 49.3 t80 -68.8 -51.05 44.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.54 -33.21 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -66.15 -60.25 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -57.11 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -42.17 -47.37 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.89 104.82 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 t -49.88 131.39 22.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.64 -99.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 m -69.5 83.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -160.98 127.41 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -99.06 141.18 32.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -72.89 144.61 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.45 -60.07 8.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -73.08 173.58 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.419 ' CB ' ' HE3' ' A' ' 21' ' ' LYS . 44.3 m -143.6 144.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.45 159.89 22.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' ILE . 15.7 t -88.11 162.05 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -109.91 -34.43 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.53 -68.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -89.03 -14.63 36.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 63.93 44.94 4.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 134.28 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -43.74 116.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 8' ' ' CYS . 76.5 mt -83.21 99.04 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.6 mmt -43.92 149.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -10.75 29.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 -55.75 3.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -68.98 151.68 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -83.02 148.84 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 15.1 pttm -131.2 171.94 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 34' ' ' PHE . 99.8 mmm -117.48 102.84 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.3 115.28 22.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.98 110.73 8.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttp 63.09 43.19 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.16 -36.8 3.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 26.0 m -75.96 162.51 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.902 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -132.17 159.47 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.6 m-90 -143.89 130.48 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' THR . 4.1 m80 -51.87 143.11 13.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -43.54 -22.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . 1.035 ' O ' HG23 ' A' ' 35' ' ' ILE . 6.8 p -102.96 -41.07 6.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.6 -20.21 45.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 40.1 t80 -84.23 26.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 1.035 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -59.87 177.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 13.1 t -81.37 166.68 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.0 m80 -99.99 -16.78 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -100.42 -61.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.8 -16.93 39.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 61.63 44.44 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -117.76 149.14 44.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.238 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.2 mt -50.91 -64.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.11 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -130.25 41.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 170.38 8.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 108.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -148.32 145.4 28.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -97.41 103.71 17.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.79 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.1 tptm -83.48 152.71 24.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 7.1 m-20 -31.23 -67.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 39.5 t30 -121.11 28.53 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 45.9 mt-30 -153.26 177.48 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -135.6 133.78 38.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -142.58 131.26 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.38 -177.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.684 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.4 t -65.94 -49.9 55.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.72 -25.68 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.29 -54.59 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.795 ' CE2' HG21 ' A' ' 49' ' ' ILE . 78.1 t80 -55.48 -52.29 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.52 -45.08 13.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -54.52 -47.24 73.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -53.17 -46.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -92.55 42.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.66 164.15 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.5 p -105.09 164.28 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.52 83.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 m -137.4 173.07 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -44.34 126.12 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.479 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -149.19 157.31 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -138.24 124.21 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.04 55.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -86.97 101.97 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -119.63 -71.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 119.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -51.6 162.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 13.6 mm-40 -107.6 -34.58 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 17.2 tp10 -64.67 -70.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.8 p -84.46 -16.34 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 66.54 39.2 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -110.82 136.25 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 m -51.53 109.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 21' ' ' LYS . 70.3 mt -75.0 117.94 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.06 154.01 90.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.71 10.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.83 -67.99 1.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -55.06 155.29 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -91.8 109.3 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HB3' HG21 ' A' ' 15' ' ' ILE . 40.0 pttt -92.8 170.37 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.3 mmm -117.44 108.09 15.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -87.45 116.09 25.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -140.03 118.79 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt 61.36 35.69 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.32 -33.78 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 35.0 m -76.4 159.17 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.872 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -122.2 152.06 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 17.2 m-90 -142.7 125.09 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.2 m80 -48.22 147.39 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.7 -22.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.7 p -105.27 -54.6 2.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 58.8 m -41.87 -22.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 27.1 t80 -82.0 24.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -59.56 174.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 15.6 t -79.0 164.97 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.4 m80 -96.66 -10.91 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -108.94 -63.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.83 -9.32 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 52.67 45.27 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.37 147.81 46.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 85.69 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.8 mt -42.48 -69.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.5 -86.54 0.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 46' ' ' LYS . 30.5 p -127.66 -34.21 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.0 mttm -33.46 128.58 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 58' ' ' VAL . 72.0 m -48.83 112.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -124.61 162.02 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.0 mp -102.92 106.21 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.6 tptt -86.37 154.6 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -32.55 -66.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -121.04 27.81 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.68 -179.88 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -140.69 137.95 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -145.03 141.13 28.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -71.25 -177.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 47' ' ' SER . 54.5 t -66.75 -49.66 48.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -13.65 34.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.7 m -97.87 -61.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 50.5 t80 -43.95 -35.54 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.74 -43.17 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' N ' ' HE3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -55.56 -55.64 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -48.47 -48.71 37.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -98.73 39.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.59 -50.72 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.6 p -106.54 116.71 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.36 -79.68 1.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.29 68.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m 54.04 42.64 31.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -164.7 145.13 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m 55.41 40.79 31.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -54.08 158.7 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.02 36.82 3.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -62.06 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -96.74 -60.5 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 131.28 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 15' ' ' ILE . 40.6 t -86.82 162.34 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -108.45 -33.27 7.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 3.2 tp10 -61.38 -68.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.43 4.44 53.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 50.53 42.29 26.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -112.46 144.95 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -58.52 117.65 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 8' ' ' CYS . 78.7 mt -79.83 95.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 19' ' ' THR . 33.1 mmt -43.56 148.8 0.66 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.86 34.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.0 57.7 4.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 16' ' ' MET . 5.8 t -175.0 160.84 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -96.57 117.62 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 15' ' ' ILE . 1.9 pttm -104.35 169.36 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 99.5 mmm -112.83 102.8 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -86.99 114.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.7 115.22 13.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.4 40.98 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.24 -37.8 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 48.8 m -76.39 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -127.86 158.28 38.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.0 m-90 -143.52 131.2 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.4 m80 -49.75 141.69 9.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 32' ' ' THR . 5.5 pt-20 -40.31 -25.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -100.43 -58.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.4 m -39.43 -24.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' THR . 33.3 t80 -80.92 31.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -66.51 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.25 162.22 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -96.88 -8.41 30.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -108.67 -63.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.33 -12.31 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 58.19 43.36 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -120.11 148.91 48.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 87.77 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 48' ' ' PHE . 65.7 mt -41.56 -69.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.37 -116.7 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -126.36 37.96 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -92.38 178.57 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -78.72 60.48 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.5 ' HB3' HG21 ' A' ' 43' ' ' ILE . 16.2 p90 -86.92 145.53 26.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.865 HG21 ' CE2' ' A' ' 61' ' ' TYR . 3.3 mp -95.88 104.15 15.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' ASP . 2.8 tppp? -77.69 154.62 31.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . 15.0 m-20 -33.49 -67.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -118.32 27.6 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.3 mt-30 -154.48 178.95 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -132.24 149.28 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -157.08 136.71 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.22 -175.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.651 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 20.4 t -66.55 -51.62 40.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.78 -21.98 32.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.0 m -86.09 -52.53 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.865 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.1 t80 -55.92 -52.38 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -50.11 -42.05 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -57.76 -50.1 74.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.54 -39.91 95.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -92.74 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.42 133.73 55.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -89.74 108.6 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.39 -172.7 33.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.53 5.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 t -79.58 131.33 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m 58.7 46.45 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.494 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 60.6 p 36.35 46.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.519 ' H ' HG21 ' A' ' 14' ' ' THR . . . -103.24 -172.38 26.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -104.85 -51.83 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -72.45 159.21 34.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 131.29 3.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.642 ' HA ' HD11 ' A' ' 15' ' ' ILE . 41.0 t -65.94 162.26 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 16.0 mm-40 -107.19 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -61.94 -72.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.51 -11.32 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.46 46.74 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -118.84 134.46 55.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.519 HG21 ' H ' ' A' ' 4' ' ' GLY . 46.4 m -46.96 111.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 8' ' ' CYS . 65.9 mt -74.99 120.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 19' ' ' THR . 34.9 mmt -75.49 152.91 85.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -11.23 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.77 39.31 3.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 16' ' ' MET . 14.8 t -167.84 151.46 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -87.34 120.62 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -107.61 162.29 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.52 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 95.0 mmm -103.49 105.08 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.46 113.57 21.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -139.25 115.23 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttt 63.78 39.54 8.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.36 -30.24 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 46.7 m -81.79 162.28 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.9 m -128.28 156.2 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.3 m-90 -142.52 126.28 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.6 m80 -46.49 141.76 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -39.05 -26.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -99.01 -59.13 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.3 m -39.84 -23.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 32.7 t80 -81.25 23.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' THR . 2.1 pp -49.24 -178.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.78 166.56 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 14.2 m80 -100.18 -7.35 24.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -112.6 -54.81 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.04 -4.14 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 49.3 43.82 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -112.68 146.74 35.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.71 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 48' ' ' PHE . 48.7 mt -46.66 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.45 -112.25 4.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -132.77 41.78 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 171.77 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -51.15 107.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.8 p90 -146.03 143.82 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.842 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -96.22 103.96 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.45 5.69 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.1 tppt? -83.72 154.37 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' LYS . 42.9 m-20 -33.44 -67.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -119.21 27.46 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.429 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 67.1 mt-30 -152.04 -178.59 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 2.4 m-80 -141.18 124.65 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PHE . . . . . 0.685 ' CG ' ' NE2' ' A' ' 64' ' ' GLN . 98.0 m-85 -133.08 135.17 45.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.45 -176.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.63 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.7 t -67.25 -52.62 28.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -17.47 37.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.617 2.211 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.45 -49.01 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.842 ' CE2' HG21 ' A' ' 49' ' ' ILE . 53.2 t80 -58.71 -32.24 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.61 -30.86 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.35 -60.41 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLN . . . . . 0.685 ' NE2' ' CG ' ' A' ' 56' ' ' PHE . 11.8 pt20 -67.93 -55.27 13.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' HIS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 45.9 t60 -42.45 -60.34 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 132.94 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -128.22 170.02 13.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.39 143.43 8.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -11.79 31.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' SER . 8.3 t -80.19 171.77 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' SER . 95.8 p 36.89 42.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.476 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -67.51 -49.13 64.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -68.65 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 140.54 36.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -91.67 144.27 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m 57.89 42.37 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.35 155.53 51.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 11.5 t -79.95 162.82 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 14.0 mm-40 -109.85 -34.74 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -59.47 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.26 11.15 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 43.39 46.82 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 147.74 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -62.87 110.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 21' ' ' LYS . 65.9 mt -78.79 110.93 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 34.6 mmt -59.9 154.7 47.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.67 5.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 14.9 t -82.64 154.85 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -86.88 145.92 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.5 pttm -134.01 164.21 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' MET . . . . . 0.524 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 82.4 mmm -108.33 107.17 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.35 111.79 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t80 -137.48 124.01 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 29.6 mtpt 57.02 42.69 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.98 -39.14 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 59.0 m -76.6 158.77 30.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 13.7 m-90 -144.01 133.64 23.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' THR . 15.6 m80 -52.26 140.14 22.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.3 pt-20 -35.53 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' ILE . 41.2 p -94.71 -57.68 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.7 m -39.95 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 35.7 t80 -80.84 29.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.94 170.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' CYS . . . . . 0.548 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.9 t -72.98 165.59 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 15.0 m80 -99.87 -16.86 17.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 -100.25 -61.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -84.39 -16.94 40.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 61.76 44.26 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -119.45 146.86 42.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.26 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 48' ' ' PHE . 73.5 mt -49.01 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.53 -110.77 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 40.11 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.157 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -111.36 161.65 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -42.38 109.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.6 p90 -148.02 146.61 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ILE . . . . . 0.828 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -100.71 103.54 25.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.73 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -87.91 150.89 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' LYS . 10.9 m-20 -30.45 -70.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 35.6 t30 -117.37 30.51 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 51.5 mt-30 -156.39 175.63 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -138.27 130.7 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.82 132.13 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.92 -177.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.683 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.8 t -66.29 -49.77 52.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.76 -17.42 37.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.47 -54.5 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 49' ' ' ILE . 39.8 t80 -52.5 -51.34 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.54 -44.31 25.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -57.33 -58.07 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -55.33 -45.57 76.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -54.79 -59.06 5.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.08 163.41 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.2 m -151.29 132.25 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.05 -169.01 34.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -115.13 125.6 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 m -91.62 131.74 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 25.4 t -88.36 162.42 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.8 mm-40 -106.56 -35.63 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 6.9 tm-20 -61.93 -72.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' LYS . 28.9 p -92.76 14.4 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 38.0 mmtt 36.8 47.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -111.3 162.75 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.8 m -75.9 109.52 9.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 8' ' ' CYS . 48.4 mt -77.7 107.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mmt -58.21 150.65 51.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -9.97 27.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -46.17 6.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -75.08 160.97 29.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -85.95 143.03 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.3 pttm -134.93 159.04 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 mmm -109.62 104.6 13.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.11 116.11 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -136.72 110.05 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttm 63.9 44.15 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.03 -34.37 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 14.0 m -77.61 162.57 26.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -131.83 152.07 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 19.3 m-90 -138.43 127.56 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 18.5 m80 -48.08 138.68 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -38.41 -27.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' ILE . 82.1 p -97.53 -55.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.6 m -43.56 -21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 65.1 t80 -82.28 21.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.58 177.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.1 t -80.47 165.37 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.548 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 6.7 m-70 -100.99 -7.37 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -111.22 -53.84 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.8 -10.36 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.7 43.82 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -117.1 146.35 37.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 86.52 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 48' ' ' PHE . 28.7 mt -51.14 -55.62 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.29 -116.66 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.8 p -119.7 86.56 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -160.63 173.52 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -53.62 100.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' A' ' 43' ' ' ILE . 2.7 p90 -144.21 144.51 31.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -99.27 104.7 28.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.81 117.76 5.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.2 tptt -83.96 153.75 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' LYS . 3.6 m-20 -32.99 -67.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.33 28.33 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.548 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 82.7 mt-30 -153.55 -178.21 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.521 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 6.6 m-20 -140.93 130.41 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -138.98 134.48 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.86 -177.33 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.644 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 12.3 t -66.02 -51.89 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.76 -27.62 26.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.3 m -80.22 -53.85 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 49' ' ' ILE . 25.4 t80 -53.83 -50.54 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 31.1 mm-40 -46.27 -44.69 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.1 mttt . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.957 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 7.2 t -78.36 162.47 26.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mp0 -109.55 -35.45 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.18 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -96.91 5.38 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 47.26 47.35 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -118.08 146.82 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.0 m -60.48 114.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.83 95.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 19' ' ' THR . 28.8 mmt -45.92 153.41 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.83 23.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.95 -53.66 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 16' ' ' MET . 12.2 t -57.03 153.9 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.166 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -88.93 124.63 34.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 48.7 pttt -119.25 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -113.85 108.6 17.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.35 114.2 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -136.67 121.42 18.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 59.67 30.82 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.62 -37.73 3.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.493 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.3 m -76.59 162.08 28.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -123.71 159.06 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 13.8 m-90 -142.95 128.3 18.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -50.46 149.15 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.34 -20.06 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.6 p -104.16 -14.17 15.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.8 m -90.5 -24.13 20.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 43.0 t80 -81.45 18.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -58.55 169.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.514 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.5 t -73.07 167.67 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.2 m-70 -101.84 -17.64 16.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.04 -56.98 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -88.65 -13.29 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 56.64 44.92 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -119.72 145.06 38.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 48' ' ' PHE . 52.6 mt -37.65 -67.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.83 -87.16 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 56.7 p -132.03 -39.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -33.46 146.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.9 m -43.03 121.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.587 ' HB3' HG21 ' A' ' 43' ' ' ILE . 9.1 p90 -148.1 140.72 24.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.973 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -96.68 104.12 16.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.04 6.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 36.0 tptt -84.81 154.86 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.8 m-20 -33.06 -66.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -119.61 27.42 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.506 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 61.0 mt-30 -153.42 178.43 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.596 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -136.67 128.73 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.79 128.89 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.84 -176.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.64 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 9.8 t -65.63 -51.57 49.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.118 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.5 m -87.34 -59.93 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.973 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.9 t80 -49.67 -56.03 11.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -44.5 -44.42 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 mttm . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.983 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 N-CA-C 112.439 -0.264 . . . . 0.0 112.439 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.1 t -78.73 162.4 26.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 4.1 mm100 -109.95 -34.82 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.85 -65.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.35 -4.93 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt 61.57 32.22 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.74 144.86 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.3 m -62.96 119.1 8.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.9 mt -83.83 125.31 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -74.24 152.97 88.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.75 31.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -79.2 156.28 28.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -88.29 124.05 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 15' ' ' ILE . 12.4 pttp -110.56 168.59 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.2 mmm -114.3 108.78 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.54 114.71 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -138.41 116.65 11.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.18 37.51 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -40.79 3.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.452 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 m -76.52 162.27 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -124.18 158.62 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 12.6 m-90 -141.91 127.69 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.583 ' CE1' HG12 ' A' ' 15' ' ' ILE . 36.6 m80 -49.67 148.45 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.34 -17.51 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.8 p -106.91 -11.52 15.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.89 -24.02 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CZ ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 t80 -81.65 16.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -51.06 171.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.2 t -74.51 167.15 22.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.503 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m170 -102.25 -13.2 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -105.08 -54.69 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.38 -5.88 48.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 50.56 43.7 27.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -115.01 145.48 34.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 80.24 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.4 mt -41.29 -56.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 -113.22 4.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.3 p -119.87 85.78 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -163.17 156.59 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -41.47 105.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -144.33 142.08 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.72 105.99 30.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.77 120.14 6.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.9 tptm -86.69 153.62 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.8 m-20 -32.48 -67.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -120.84 28.82 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.503 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 86.9 mt-30 -153.86 176.05 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.526 ' ND2' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 m120 -134.49 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -138.25 133.94 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -65.56 -178.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.677 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.0 t -66.05 -50.1 53.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.73 -16.28 37.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.01 -53.72 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 49' ' ' ILE . 41.2 t80 -59.3 -50.32 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -52.55 -37.54 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.963 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.5 t -79.66 162.41 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 5.3 mm-40 -107.34 -32.71 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -64.24 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.09 1.97 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 53.99 35.48 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.07 145.74 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.7 m -62.69 111.4 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CE1' ' A' ' 30' ' ' HIS . 61.9 mt -72.29 102.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.591 ' O ' HG22 ' A' ' 19' ' ' THR . 31.0 mmt -56.12 154.27 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 169.58 18.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.78 -55.79 5.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 16' ' ' MET . 11.9 t -58.48 151.59 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -85.49 110.99 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -106.58 167.73 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.401 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 78.7 mmm -109.85 115.17 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -93.6 116.84 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 62.2 t80 -137.32 118.15 14.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 3.6 mptt 55.46 46.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.43 -35.35 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.59 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.4 m -75.87 162.84 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.408 ' OG ' HD12 ' A' ' 15' ' ' ILE . 74.8 p -125.39 158.46 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 15.6 m-90 -144.55 123.42 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' HG12 ' A' ' 15' ' ' ILE . 17.6 m80 -45.85 158.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 32' ' ' THR . 3.6 pt-20 -64.45 -19.21 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.632 HG23 ' HG3' ' A' ' 31' ' ' GLU . 63.1 p -108.61 -3.76 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 45.7 m -100.01 -22.83 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 30.8 t80 -83.26 25.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -62.3 166.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.534 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -70.74 167.27 19.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.1 m-70 -101.89 -14.05 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -103.42 -56.02 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.6 -10.74 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -114.33 144.25 31.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -44.82 -61.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.22 -110.32 3.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 p -125.1 84.48 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -162.11 164.6 27.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.4 p -42.42 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -148.09 143.72 27.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.7 mp -102.18 104.14 34.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.98 5.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 52' ' ' ASP . 4.0 tppt? -84.95 152.04 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' LYS . 31.7 m-20 -31.14 -68.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -119.36 29.07 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.431 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.7 mt-30 -152.84 -179.86 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.529 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.27 127.62 21.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.15 131.22 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.76 -175.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.642 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 7.0 t -66.2 -51.78 42.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 -26.92 26.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.2 m -81.91 -51.52 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 55.1 t80 -54.35 -52.33 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.14 -46.54 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' HD11 ' A' ' 15' ' ' ILE . 45.5 t -68.37 163.24 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -109.99 -28.46 8.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.84 -62.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.36 11.08 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 41.32 46.11 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -111.35 160.08 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.4 m -75.48 107.48 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 21' ' ' LYS . 27.4 mt -74.55 104.72 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.5 mmt -54.02 147.87 23.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.72 14.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.28 9.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 t -85.03 156.16 21.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 6.0 mmm180 -89.35 120.11 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HB3' HG21 ' A' ' 15' ' ' ILE . 11.6 pttm -105.64 168.75 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -112.51 104.82 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.36 114.07 24.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -138.33 124.64 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt 58.96 32.82 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.85 -38.42 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.576 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 59.3 m -76.87 162.19 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -126.36 155.32 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 16.9 m-90 -141.79 122.83 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 15' ' ' ILE . 20.8 m80 -45.87 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.21 -15.07 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.2 p -111.91 -7.2 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -95.92 -23.72 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -81.75 17.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.05 170.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.18 168.8 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.7 m-70 -102.89 -15.11 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -103.43 -54.93 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.35 -7.63 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 52.87 43.68 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -112.95 146.7 35.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 80.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 46' ' ' LYS . 61.6 mt -45.43 -55.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.74 -116.21 4.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.0 p -120.9 86.33 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 43' ' ' ILE . 27.6 pttt -160.06 176.33 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -55.65 105.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.46 147.59 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.976 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -102.29 104.03 34.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.3 Cg_endo -69.75 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.3 tptp -85.06 154.64 21.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.42 -67.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.32 27.52 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 75.1 mt-30 -152.93 179.44 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.528 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.7 m120 -140.06 130.16 24.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.71 134.43 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.4 -177.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.635 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 11.2 t -66.49 -51.78 39.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.76 -21.72 33.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.0 m -87.84 -56.92 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.976 ' CE2' HG21 ' A' ' 49' ' ' ILE . 54.1 t80 -49.32 -34.7 16.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -56.02 -44.49 78.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.984 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.4 t -75.15 163.06 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -107.63 -34.73 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.73 -66.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.91 10.73 36.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.54 42.82 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -115.32 146.24 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -61.55 119.04 7.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 21' ' ' LYS . 56.1 mt -80.99 96.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.575 ' O ' HG22 ' A' ' 19' ' ' THR . 33.6 mmt -47.77 150.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -17.64 37.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.85 41.23 2.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 16' ' ' MET . 11.0 t -165.62 157.45 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -94.42 120.02 34.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.4 pttp -109.6 170.37 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -113.03 109.62 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.89 117.32 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 2.7 t80 -137.41 112.28 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 26.7 mmtp 63.4 43.94 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 -39.13 2.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 50.8 m -76.02 158.16 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -122.16 155.66 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.4 m-90 -141.82 122.68 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' HG12 ' A' ' 15' ' ' ILE . 26.8 m80 -45.79 158.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.0 pt-20 -63.46 -22.97 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 31' ' ' GLU . 60.6 p -104.55 -2.09 25.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 m -100.42 -26.37 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 48.6 t80 -81.88 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.8 pp -55.83 162.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.473 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.4 t -62.36 163.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.524 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 8.2 m-70 -96.41 -10.84 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -107.97 -63.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.87 -18.53 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER 64.15 42.09 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -114.93 145.27 33.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.79 79.77 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 48' ' ' PHE . 54.5 mt -37.88 -67.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.85 -123.72 7.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -118.2 41.68 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -112.44 172.64 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -54.07 111.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.1 p90 -147.94 149.48 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -104.89 104.24 45.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.708 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 119.72 6.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.8 tppt? -85.48 153.9 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -32.49 -67.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.71 28.19 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.432 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.75 -179.02 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.524 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.39 129.93 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -138.94 133.76 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.75 -174.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.657 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 13.7 t -66.74 -51.39 39.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.2 Cg_endo -69.8 -22.5 31.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.7 m -87.38 -52.58 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.894 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.0 t80 -53.33 -50.24 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.25 -41.48 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.9 mttt . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 15' ' ' ILE . 18.7 t -71.7 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.56 ' NE2' ' H ' ' A' ' 28' ' ' SER . 2.0 mp0 -110.0 -36.36 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -60.14 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.404 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 30.4 p -90.43 -11.53 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 62.55 43.39 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.02 138.55 51.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.2 m -49.56 117.9 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.2 mt -83.64 114.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.3 mmt -66.72 152.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -13.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.22 -53.04 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -67.13 151.42 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -78.98 137.22 37.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 15' ' ' ILE . 28.1 pttt -131.94 165.4 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 93.3 mmm -117.21 111.46 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -90.36 114.69 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -141.11 123.25 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.45 40.47 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.98 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.589 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.7 m -76.38 161.29 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.56 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 50.7 m -122.53 160.51 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 14.5 m-90 -144.28 126.67 15.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -49.94 160.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 32' ' ' THR . 18.0 pt-20 -61.84 -33.09 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.9 p -91.01 -21.98 21.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.1 m -82.56 -26.36 32.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 49.3 t80 -83.43 26.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -64.57 165.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.1 t -68.32 163.95 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 9.0 m-70 -99.68 -13.67 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -102.99 -59.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.12 -15.53 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 60.05 44.66 12.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -117.9 146.7 39.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 80.92 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.413 HG23 ' HG2' ' A' ' 46' ' ' LYS . 68.8 mt -39.08 -63.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.22 -113.04 4.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -129.95 40.46 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HG2' HG23 ' A' ' 43' ' ' ILE . 1.1 ptmm? -108.94 172.38 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -56.26 112.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -147.96 146.47 28.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.961 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -97.8 105.75 29.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.8 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.301 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.3 tppp? -86.0 151.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.9 m-20 -29.6 -67.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.48 ' ND2' ' HG3' ' A' ' 54' ' ' GLN . 1.7 p-10 -121.48 28.97 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.48 ' HG3' ' ND2' ' A' ' 53' ' ' ASN . 35.4 mt-30 -152.46 175.4 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.45 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.6 m-80 -135.01 125.94 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.8 131.52 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.28 -177.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.669 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 22.2 t -65.79 -50.26 55.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -21.95 32.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.35 -58.49 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.961 ' CE2' HG21 ' A' ' 49' ' ' ILE . 65.0 t80 -48.85 -52.46 24.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 68.8 mm-40 -44.58 -42.92 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 32.9 t -92.12 162.4 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.0 mp0 -109.96 -33.15 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.09 -70.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.66 -10.98 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 63.49 45.98 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -120.34 136.02 54.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.1 m -46.78 118.42 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.726 HG21 ' HD3' ' A' ' 21' ' ' LYS . 61.2 mt -84.93 106.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 19' ' ' THR . 31.8 mmt -53.84 155.94 5.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -48.98 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.35 43.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 16' ' ' MET . 14.2 t -67.74 154.08 42.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -94.28 142.79 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HD3' HG21 ' A' ' 15' ' ' ILE . 9.4 pttm -139.88 152.98 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.6 mmm -88.79 157.39 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -131.25 114.38 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 50' ' ' PRO . 42.1 t80 -141.43 148.19 39.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 15.7 mmmt 43.67 36.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.02 -37.46 2.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.9 m -76.34 150.9 36.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 m -108.01 156.6 19.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 10.9 m-90 -140.59 135.93 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CE1' HG12 ' A' ' 15' ' ' ILE . 3.5 m80 -47.96 176.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.79 -26.32 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -110.71 15.78 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 51.5 m -113.28 -24.29 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.55 19.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 35' ' ' ILE . 2.8 pp -50.79 166.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -69.16 166.52 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.9 m-70 -99.22 -17.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -100.25 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 20.5 p -82.35 -18.31 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 62.17 44.12 8.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 39' ' ' CYS . 60.5 mt-30 -119.72 148.43 46.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.404 ' N ' HG22 ' A' ' 35' ' ' ILE . 53.0 Cg_endo -69.85 82.42 0.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -43.76 -56.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.41 -111.46 3.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -125.32 84.63 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -159.69 167.67 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 106.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.81 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.033 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -99.46 105.3 32.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.652 0.739 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.76 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.6 tptp -84.41 154.7 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.58 -67.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 27.6 t-20 -119.29 27.82 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.553 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -152.8 175.19 13.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -135.53 124.42 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.71 134.19 42.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.37 -176.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.621 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 t -67.01 -52.54 30.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.5 Cg_endo -69.76 -16.75 37.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.17 -51.4 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 1.033 ' CE2' HG21 ' A' ' 49' ' ' ILE . 27.6 t80 -57.47 -42.83 83.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.45 -41.98 61.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 mttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 179.95 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 15' ' ' ILE . 19.6 t -78.98 162.19 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 8.4 mm-40 -105.7 -38.47 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.61 -71.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -81.41 -13.39 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 60.69 46.24 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -113.94 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -92.69 111.11 22.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.8 mt -80.49 103.76 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mmt -54.25 146.17 32.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.62 7.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.14 -44.36 5.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 154.98 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -85.11 145.73 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD3' HG21 ' A' ' 15' ' ' ILE . 17.3 pttp -135.99 166.65 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.449 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.8 mmm -104.09 108.48 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.76 112.76 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.4 t80 -140.32 128.89 22.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 7.5 ttpp 53.31 42.97 32.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 -39.93 2.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 67.4 m -76.44 162.31 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -126.75 154.34 44.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 15.6 m-90 -137.27 127.91 26.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -44.61 152.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.87 -24.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 35' ' ' ILE . 7.1 p -101.57 -58.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.6 m -39.3 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' THR . 49.2 t80 -80.6 27.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -57.4 -177.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.9 t -88.35 166.87 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.527 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.8 m-70 -100.83 -11.04 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -107.68 -55.39 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.5 p -91.71 -12.83 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 57.41 43.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -115.67 148.69 41.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 81.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.404 HG21 ' CB ' ' A' ' 48' ' ' PHE . 61.8 mt -46.27 -52.03 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.9 -121.62 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.7 p -115.4 87.09 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.68 173.03 16.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -53.65 102.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CB ' HG21 ' A' ' 43' ' ' ILE . 2.9 p90 -145.69 144.87 30.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.796 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -98.31 104.59 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.55 5.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 9.8 tppt? -87.82 152.45 22.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.46 -67.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -119.78 28.77 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.524 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 49.1 mt-30 -153.47 176.59 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.527 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 23.6 m-20 -138.72 126.26 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -134.66 134.73 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.76 -177.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 24.8 t -65.68 -50.47 55.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.71 -25.27 29.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.7 m -84.61 -57.06 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 49' ' ' ILE . 59.6 t80 -51.73 -47.69 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.25 -41.45 65.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 mttm . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.985 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.375 0 N-CA-C 112.531 -0.228 . . . . 0.0 112.531 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 16.8 t -71.42 162.36 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mp0 -107.49 -35.5 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 4.8 tp10 -60.37 -70.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.79 3.16 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 49.98 46.1 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.04 142.7 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -58.1 117.05 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.6 mt -78.34 96.63 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.678 ' O ' HG22 ' A' ' 19' ' ' THR . 29.0 mmt -43.39 147.32 0.77 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -16.83 37.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.52 43.38 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 16' ' ' MET . 15.0 t -161.56 151.91 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 3.7 ptm85 -82.35 134.31 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -126.33 166.88 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.0 mmm -114.4 115.04 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -89.71 117.45 28.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 4.6 t80 -132.84 103.3 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 13.9 mtpt 63.23 49.45 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.26 -36.65 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 69.0 m -75.8 156.23 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.7 p -120.48 155.21 34.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.9 m-90 -142.18 124.83 15.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.8 m80 -44.78 141.35 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 32' ' ' THR . 12.1 pt-20 -40.7 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 35' ' ' ILE . 35.1 p -100.92 -55.71 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 62.0 m -41.7 -23.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 48.8 t80 -81.47 21.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.89 177.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 t -80.48 165.12 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.544 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.5 m-70 -97.08 -10.93 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -109.37 -63.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.1 -7.9 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 51.8 44.7 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -118.47 147.67 42.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.57 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -46.61 -64.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.25 -92.56 1.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 18.1 p -122.6 -32.23 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' THR . 10.1 mtmm -33.3 127.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.8 m -48.3 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -117.33 154.79 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.3 mp -96.06 105.84 24.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.0 Cg_endo -69.71 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.3 tptm -86.34 154.3 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' LYS . 38.7 m-20 -32.96 -67.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.433 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 33.0 m120 -119.47 27.82 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 37.1 mt-30 -155.28 176.45 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.544 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -137.56 133.29 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.18 36.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -69.63 -176.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 40.6 t -66.91 -50.22 44.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.148 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -16.17 37.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.28 -55.19 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CE2' HG21 ' A' ' 49' ' ' ILE . 60.8 t80 -53.35 -54.1 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.956 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -49.3 162.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 7.0 mm-40 -109.11 -34.5 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 tm-20 -61.96 -71.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.56 -12.4 45.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.32 43.42 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -115.71 135.36 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.4 m -49.51 112.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 ' HB3' ' A' ' 21' ' ' LYS . 68.8 mt -77.42 109.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.607 ' O ' HG22 ' A' ' 19' ' ' THR . 29.6 mmt -61.08 154.79 59.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.07 32.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.03 47.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 16' ' ' MET . 14.1 t -169.66 156.33 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -93.19 105.5 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' ILE . 7.2 ptpp? -95.63 168.95 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -114.49 102.67 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -91.27 120.79 32.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 9.8 t80 -141.44 117.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 39.9 mmtt 60.5 41.43 15.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.12 -30.58 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 70.6 m -77.41 161.87 27.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -130.95 154.13 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.41 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 20.7 m-90 -143.5 125.75 15.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -47.98 149.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.47 -20.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.855 ' O ' HG23 ' A' ' 35' ' ' ILE . 12.4 p -107.9 -53.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 52.2 m -39.96 -24.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . 19.2 t80 -82.24 26.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -61.31 172.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -75.39 165.87 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.4 m-70 -99.37 -11.82 20.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 6.5 ttt-85 -107.43 -58.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -87.74 -9.59 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER 54.38 43.35 30.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -117.33 147.05 39.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 88.34 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.4 mt -42.84 -71.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.65 -95.45 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' LYS . 36.8 p -125.5 -23.88 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.145 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.9 mmmt -33.95 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 m -70.26 74.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -87.77 164.98 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.766 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -108.22 105.12 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.6 Cg_endo -69.78 118.32 5.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.304 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.7 ttmm -86.04 154.82 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.37 -69.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -118.78 26.55 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' LYS . 52.8 mt-30 -153.09 174.91 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.499 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.6 OUTLIER -134.94 138.24 43.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -144.67 139.02 27.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.01 -176.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.682 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 23.6 t -66.12 -50.07 52.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.682 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.76 -28.81 24.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.61 -48.37 12.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.1 t80 -59.05 -32.58 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.85 -41.95 99.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.964 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' HD11 ' A' ' 15' ' ' ILE . 33.8 t -64.61 161.17 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mm100 -109.49 -34.64 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.31 -69.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.69 -12.12 43.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 60.54 45.5 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -116.37 134.65 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 m -47.54 113.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HB3' ' A' ' 21' ' ' LYS . 59.6 mt -79.23 117.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.6 mmt -68.59 154.58 94.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.25 36.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.05 53.69 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -82.5 157.57 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.7 141.03 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HB3' HG21 ' A' ' 15' ' ' ILE . 16.0 pttm -124.33 167.29 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -111.41 102.97 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.36 112.27 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -140.25 122.72 16.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 40.03 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.09 -39.34 2.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 63.5 m -76.48 162.11 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 m -126.75 154.96 43.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 22.1 m-90 -141.01 124.72 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.1 m80 -45.82 145.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -44.08 -22.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 35' ' ' ILE . 14.0 p -103.7 -55.98 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 55.2 m -40.67 -23.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' THR . 37.8 t80 -81.34 24.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 32' ' ' THR . 2.6 pp -54.86 178.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.0 t -84.08 169.03 15.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 3.9 m-70 -102.79 -14.27 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -105.54 -52.79 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.3 p -93.9 -12.28 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.78 43.51 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -114.5 147.92 39.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.99 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.7 mt -47.73 -60.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.28 -108.97 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -132.14 41.5 3.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 43.1 pttt -112.15 153.77 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' LYS . 42.6 m -35.1 106.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -147.14 149.21 32.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.882 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -103.5 104.85 44.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.79 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -84.88 150.39 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 46.3 m-20 -30.34 -69.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -117.06 30.58 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.444 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 26.2 mt-30 -156.42 178.32 10.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.441 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.4 m120 -137.77 132.41 32.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -141.6 134.83 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.32 -177.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.676 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 26.9 t -65.71 -50.04 57.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.81 -19.3 36.04 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.282 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.7 m -92.58 -62.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.882 ' CE2' HG21 ' A' ' 49' ' ' ILE . 71.2 t80 -43.64 -38.9 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' OE1' ' CA ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -58.89 -38.45 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 9.2 mmmm . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 15' ' ' ILE . 54.0 t -77.81 163.16 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.486 ' NE2' ' H ' ' A' ' 28' ' ' SER . 2.6 mp0 -110.91 -30.3 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.8 tm-20 -65.26 -60.48 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.28 2.53 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.72 40.1 29.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -111.07 140.2 45.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -54.54 114.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 8' ' ' CYS . 56.6 mt -78.16 96.44 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 28.5 mmt -46.79 145.27 3.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.548 0.69 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.06 55.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 8.4 t -169.95 159.71 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.157 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -84.87 113.18 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -113.45 169.21 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.9 mmm -117.33 112.34 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.98 112.33 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' PRO . 10.2 t80 -133.97 115.19 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt 63.45 42.7 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.0 -39.22 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 16.9 m -76.23 152.17 36.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.486 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 9.6 p -117.04 157.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.2 m-90 -143.22 134.23 25.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -56.78 157.71 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.62 -27.07 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' ILE . 69.1 p -97.29 -15.04 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 65.5 m -90.84 -26.13 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' OD1' ' A' ' 55' ' ' ASN . 48.0 t80 -81.79 27.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.18 168.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.3 t -73.52 166.75 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 18.7 m-70 -104.08 -15.45 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -98.68 -53.07 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.9 p -94.64 -15.0 24.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 59.75 43.55 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -118.9 146.48 40.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 79.89 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -38.51 -66.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.82 -112.12 3.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 p -122.28 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.53 170.96 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.7 p -52.32 104.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -147.53 147.69 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -105.24 109.13 62.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.556 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.7 Cg_endo -69.83 120.2 7.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.3 tptm -89.12 151.83 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' LYS . 13.5 m-20 -30.64 -67.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.03 28.96 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.471 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 93.5 mt-30 -152.64 176.48 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.525 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.3 m-80 -134.74 122.53 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.57 130.87 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.34 -176.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.634 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 t -66.91 -52.22 33.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -16.2 37.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.1 m -92.66 -53.75 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 49' ' ' ILE . 57.8 t80 -59.03 -44.84 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 15' ' ' ILE . 42.7 t -78.61 161.99 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.41 ' HB3' ' CE2' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -106.67 -34.08 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 11.0 tp10 -64.37 -70.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -84.15 -13.1 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 62.9 42.41 7.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -115.8 137.23 52.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -51.02 111.67 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 8' ' ' CYS . 59.0 mt -76.94 115.76 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.9 mmt -67.03 151.17 97.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.547 0.689 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -12.11 32.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.83 -39.31 21.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -88.8 157.03 18.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 155.36 24.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' HG21 ' A' ' 15' ' ' ILE . 14.3 pttm -146.26 165.89 27.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.5 mmm -116.69 105.18 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.91 115.01 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.39 115.02 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp 63.62 47.72 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.7 -45.53 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.481 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.8 m -76.15 162.26 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.5 ' C ' ' CE3' ' A' ' 29' ' ' TRP . 3.0 t -127.68 168.21 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CE3' ' C ' ' A' ' 28' ' ' SER . 11.3 m-90 -144.78 127.14 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.2 m80 -47.47 145.21 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -39.9 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.8 p -102.62 -55.83 2.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 54.4 m -40.42 -24.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 35.5 t80 -82.07 21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -50.15 -176.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.4 t -88.29 166.78 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 4.0 m-70 -99.9 -9.8 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -109.29 -58.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -88.83 -9.97 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 54.66 44.75 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -116.31 149.04 42.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.1 mt -48.36 -63.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.99 -115.61 5.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -129.54 41.63 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.6 pttp -112.17 155.14 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' LYS . 13.7 m -35.38 109.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -148.14 145.94 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.69 103.45 16.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.9 tptp -85.02 154.69 21.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -33.19 -66.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.71 27.54 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.55 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 34.3 mt-30 -151.05 178.26 9.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.557 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -138.07 127.35 24.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -135.28 134.7 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -65.89 -177.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.678 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.3 t -65.4 -50.15 59.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -23.79 30.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -86.08 -59.46 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 1.062 ' CE2' HG21 ' A' ' 49' ' ' ILE . 62.1 t80 -52.3 -51.52 58.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -47.62 -42.49 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 mttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.902 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.4 t -74.48 162.48 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 mm100 -110.4 -34.37 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.76 -66.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -95.59 -4.69 44.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 61.17 34.96 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -104.25 144.18 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -58.13 121.82 11.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 8' ' ' CYS . 66.0 mt -84.74 106.74 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.526 ' O ' HG22 ' A' ' 19' ' ' THR . 32.8 mmt -58.98 152.34 50.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.42 37.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.35 58.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 16' ' ' MET . 13.1 t -173.83 153.76 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -91.42 115.02 27.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 15' ' ' ILE . 16.4 pttm -109.47 171.55 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -113.31 104.87 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -84.86 115.77 22.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -141.22 119.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm 60.73 44.49 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.22 -42.76 2.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 73.3 m -76.37 157.47 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -122.4 160.83 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 12.0 m-90 -141.17 127.44 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 31.5 m80 -50.59 154.14 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.19 -24.47 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -102.39 1.17 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -104.84 -27.51 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -80.97 14.34 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.6 pp -47.43 175.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.4 t -77.69 166.32 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.8 m-70 -99.77 -13.83 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -105.62 -58.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -87.66 -8.8 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 52.76 44.3 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -117.47 147.57 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 68.7 mt -39.49 -61.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.01 -116.47 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.5 p -127.76 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -111.32 168.3 9.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 m -52.62 108.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -143.34 144.11 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.716 HG21 ' CZ ' ' A' ' 61' ' ' TYR . 4.1 mp -96.92 103.43 14.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.8 121.8 8.47 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.349 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.0 ttmt -91.22 155.28 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 51' ' ' LYS . 33.3 m-20 -31.12 -70.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.443 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 1.5 m120 -119.12 28.1 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.45 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -151.66 169.28 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -134.04 125.7 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.78 135.38 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.12 -175.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.0 t -66.69 -50.34 45.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.641 0.734 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.75 -21.49 33.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -89.81 -41.82 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.716 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 49.3 t80 -68.8 -51.05 44.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.54 -33.21 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mttm . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.476 -0.249 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' ILE . 15.7 t -88.11 162.05 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.459 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -109.91 -34.43 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.53 -68.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -89.03 -14.63 36.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 63.93 44.94 4.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 134.28 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -43.74 116.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 8' ' ' CYS . 76.5 mt -83.21 99.04 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.6 mmt -43.92 149.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -10.75 29.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 -55.75 3.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -68.98 151.68 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -83.02 148.84 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 15.1 pttm -131.2 171.94 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 34' ' ' PHE . 99.8 mmm -117.48 102.84 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.3 115.28 22.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.98 110.73 8.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttp 63.09 43.19 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.16 -36.8 3.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 26.0 m -75.96 162.51 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.902 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -132.17 159.47 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.6 m-90 -143.89 130.48 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' THR . 4.1 m80 -51.87 143.11 13.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -43.54 -22.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 1.035 ' O ' HG23 ' A' ' 35' ' ' ILE . 6.8 p -102.96 -41.07 6.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.6 -20.21 45.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 40.1 t80 -84.23 26.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 1.035 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -59.87 177.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 13.1 t -81.37 166.68 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -99.99 -16.78 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -100.42 -61.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.8 -16.93 39.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 61.63 44.44 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -117.76 149.14 44.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.238 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.2 mt -50.91 -64.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.11 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -130.25 41.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 170.38 8.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 108.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -148.32 145.4 28.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -97.41 103.71 17.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.79 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.1 tptm -83.48 152.71 24.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 7.1 m-20 -31.23 -67.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 39.5 t30 -121.11 28.53 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.438 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 45.9 mt-30 -153.26 177.48 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.509 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 m120 -135.6 133.78 38.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -142.58 131.26 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.38 -177.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.684 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.4 t -65.94 -49.9 55.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.72 -25.68 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.29 -54.59 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.795 ' CE2' HG21 ' A' ' 49' ' ' ILE . 78.1 t80 -55.48 -52.29 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.52 -45.08 13.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -51.6 162.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 13.6 mm-40 -107.6 -34.58 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 17.2 tp10 -64.67 -70.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.8 p -84.46 -16.34 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 66.54 39.2 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -110.82 136.25 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 m -51.53 109.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 21' ' ' LYS . 70.3 mt -75.0 117.94 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.06 154.01 90.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.71 10.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.83 -67.99 1.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -55.06 155.29 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -91.8 109.3 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HB3' HG21 ' A' ' 15' ' ' ILE . 40.0 pttt -92.8 170.37 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.3 mmm -117.44 108.09 15.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -87.45 116.09 25.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -140.03 118.79 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt 61.36 35.69 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.32 -33.78 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 35.0 m -76.4 159.17 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.872 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -122.2 152.06 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 17.2 m-90 -142.7 125.09 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.2 m80 -48.22 147.39 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.7 -22.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.7 p -105.27 -54.6 2.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 58.8 m -41.87 -22.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 27.1 t80 -82.0 24.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -59.56 174.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 15.6 t -79.0 164.97 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -96.66 -10.91 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -108.94 -63.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.83 -9.32 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 52.67 45.27 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.37 147.81 46.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 85.69 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.8 mt -42.48 -69.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.5 -86.54 0.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 46' ' ' LYS . 30.5 p -127.66 -34.21 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.0 mttm -33.46 128.58 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 58' ' ' VAL . 72.0 m -48.83 112.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -124.61 162.02 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.0 mp -102.92 106.21 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.6 tptt -86.37 154.6 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -32.55 -66.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -121.04 27.81 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.68 -179.88 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.48 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -140.69 137.95 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -145.03 141.13 28.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -71.25 -177.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 47' ' ' SER . 54.5 t -66.75 -49.66 48.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -13.65 34.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.7 m -97.87 -61.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 50.5 t80 -43.95 -35.54 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.74 -43.17 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.465 ' N ' ' HE3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 15' ' ' ILE . 40.6 t -86.82 162.34 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -108.45 -33.27 7.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 3.2 tp10 -61.38 -68.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.43 4.44 53.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 50.53 42.29 26.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -112.46 144.95 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -58.52 117.65 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 8' ' ' CYS . 78.7 mt -79.83 95.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 19' ' ' THR . 33.1 mmt -43.56 148.8 0.66 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.86 34.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.0 57.7 4.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 16' ' ' MET . 5.8 t -175.0 160.84 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -96.57 117.62 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 15' ' ' ILE . 1.9 pttm -104.35 169.36 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 99.5 mmm -112.83 102.8 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -86.99 114.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.7 115.22 13.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.4 40.98 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.24 -37.8 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 48.8 m -76.39 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -127.86 158.28 38.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.0 m-90 -143.52 131.2 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.4 m80 -49.75 141.69 9.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 32' ' ' THR . 5.5 pt-20 -40.31 -25.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -100.43 -58.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.4 m -39.43 -24.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' THR . 33.3 t80 -80.92 31.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -66.51 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.25 162.22 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -96.88 -8.41 30.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -108.67 -63.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.33 -12.31 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 58.19 43.36 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -120.11 148.91 48.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 87.77 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 48' ' ' PHE . 65.7 mt -41.56 -69.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.37 -116.7 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -126.36 37.96 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -92.38 178.57 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -78.72 60.48 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.5 ' HB3' HG21 ' A' ' 43' ' ' ILE . 16.2 p90 -86.92 145.53 26.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.865 HG21 ' CE2' ' A' ' 61' ' ' TYR . 3.3 mp -95.88 104.15 15.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' ASP . 2.8 tppp? -77.69 154.62 31.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . 15.0 m-20 -33.49 -67.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -118.32 27.6 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.448 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 43.3 mt-30 -154.48 178.95 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -132.24 149.28 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -157.08 136.71 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.22 -175.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.651 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 20.4 t -66.55 -51.62 40.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.78 -21.98 32.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.0 m -86.09 -52.53 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.865 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.1 t80 -55.92 -52.38 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -50.11 -42.05 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.642 ' HA ' HD11 ' A' ' 15' ' ' ILE . 41.0 t -65.94 162.26 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 16.0 mm-40 -107.19 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -61.94 -72.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.51 -11.32 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.46 46.74 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -118.84 134.46 55.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 46.4 m -46.96 111.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 8' ' ' CYS . 65.9 mt -74.99 120.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 19' ' ' THR . 34.9 mmt -75.49 152.91 85.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -11.23 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.77 39.31 3.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 16' ' ' MET . 14.8 t -167.84 151.46 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -87.34 120.62 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -107.61 162.29 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.52 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 95.0 mmm -103.49 105.08 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.46 113.57 21.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -139.25 115.23 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttt 63.78 39.54 8.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.36 -30.24 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 46.7 m -81.79 162.28 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.9 m -128.28 156.2 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.3 m-90 -142.52 126.28 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.6 m80 -46.49 141.76 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -39.05 -26.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -99.01 -59.13 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.3 m -39.84 -23.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 32.7 t80 -81.25 23.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' THR . 2.1 pp -49.24 -178.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.78 166.56 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 5.0 m-70 -100.18 -7.35 24.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -112.6 -54.81 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.04 -4.14 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 49.3 43.82 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -112.68 146.74 35.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.71 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 48' ' ' PHE . 48.7 mt -46.66 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.45 -112.25 4.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -132.77 41.78 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 171.77 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -51.15 107.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.406 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.8 p90 -146.03 143.82 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.842 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -96.22 103.96 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.45 5.69 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.1 tppt? -83.72 154.37 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' LYS . 42.9 m-20 -33.44 -67.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -119.21 27.46 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 67.1 mt-30 -152.04 -178.59 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . 0.515 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 2.8 m120 -141.18 124.65 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.08 135.17 45.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.45 -176.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.63 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.7 t -67.25 -52.62 28.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -17.47 37.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.617 2.211 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.45 -49.01 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.842 ' CE2' HG21 ' A' ' 49' ' ' ILE . 53.2 t80 -58.71 -32.24 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.61 -30.86 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.961 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 11.5 t -79.95 162.82 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 14.0 mm-40 -109.85 -34.74 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -59.47 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.26 11.15 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 43.39 46.82 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 147.74 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -62.87 110.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 21' ' ' LYS . 65.9 mt -78.79 110.93 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 34.6 mmt -59.9 154.7 47.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.67 5.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 14.9 t -82.64 154.85 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -86.88 145.92 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.5 pttm -134.01 164.21 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' MET . . . . . 0.524 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 82.4 mmm -108.33 107.17 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.35 111.79 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t80 -137.48 124.01 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 29.6 mtpt 57.02 42.69 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.98 -39.14 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 59.0 m -76.6 158.77 30.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 13.7 m-90 -144.01 133.64 23.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' THR . 15.6 m80 -52.26 140.14 22.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.3 pt-20 -35.53 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' ILE . 41.2 p -94.71 -57.68 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.7 m -39.95 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 35.7 t80 -80.84 29.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.94 170.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' CYS . . . . . 0.548 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.9 t -72.98 165.59 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -99.87 -16.86 17.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 -100.25 -61.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -84.39 -16.94 40.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 61.76 44.26 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -119.45 146.86 42.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.26 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 48' ' ' PHE . 73.5 mt -49.01 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.53 -110.77 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 40.11 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.157 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -111.36 161.65 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -42.38 109.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.6 p90 -148.02 146.61 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ILE . . . . . 0.828 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -100.71 103.54 25.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.73 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -87.91 150.89 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' LYS . 10.9 m-20 -30.45 -70.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 35.6 t30 -117.37 30.51 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 37.2 mt-30 -156.39 175.63 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -138.27 130.7 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.82 132.13 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.92 -177.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.683 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.8 t -66.29 -49.77 52.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.76 -17.42 37.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.47 -54.5 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 49' ' ' ILE . 39.8 t80 -52.5 -51.34 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.54 -44.31 25.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.998 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.461 -0.255 . . . . 0.0 112.461 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.7 t -92.8 -60.57 1.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.827 0.346 . . . . 0.0 110.838 -179.726 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.3 m -49.5 -45.52 47.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.86 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -93.75 101.37 2.75 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.505 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.2 m -83.54 37.13 0.56 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.884 0.374 . . . . 0.0 110.864 -179.719 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 62.0 p -121.46 161.93 21.35 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.887 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.24 151.27 20.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 25.4 t -88.36 162.42 16.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.836 0.351 . . . . 0.0 110.876 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.53 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 24.8 mm-40 -106.56 -35.63 7.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.904 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.452 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 6.9 tm-20 -61.93 -72.33 0.13 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.403 ' O ' ' C ' ' A' ' 12' ' ' LYS . 28.9 p -92.76 14.4 17.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.87 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 11' ' ' CYS . 38.0 mmtt 36.8 47.9 0.61 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 73.9 mttt -111.3 162.75 14.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.904 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 31.8 m -75.9 109.52 9.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.119 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.556 HD11 ' HA ' ' A' ' 8' ' ' CYS . 48.4 mt -77.7 107.62 9.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.4 mmt -58.21 150.65 51.5 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.559 0.695 . . . . 0.0 110.859 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.84 -9.97 27.36 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.624 2.216 . . . . 0.0 112.32 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -82.63 -46.17 6.51 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.4 t -75.08 160.97 29.84 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.804 0.335 . . . . 0.0 111.121 -179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.3 mmt180 -85.95 143.03 28.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.835 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.537 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.3 pttm -134.93 159.04 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.926 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 56.6 mmm -109.62 104.6 13.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.92 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.5 mt-10 -84.11 116.11 22.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.841 -179.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -136.72 110.05 7.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.883 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.3 mttm 63.9 44.15 4.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.951 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.03 -34.37 3.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.479 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 14.0 m -77.61 162.57 26.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.893 0.378 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 54.1 m -131.83 152.07 51.25 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.81 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 19.3 m-90 -138.43 127.56 24.19 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.486 ' O ' ' N ' ' A' ' 32' ' ' THR . 18.5 m80 -48.08 138.68 9.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -38.41 -27.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.871 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.802 ' O ' HG23 ' A' ' 35' ' ' ILE . 82.1 p -97.53 -55.96 2.67 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.134 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.452 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.6 m -43.56 -21.89 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.467 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 65.1 t80 -82.28 21.39 0.93 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.874 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.802 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.58 177.21 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.132 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.465 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.1 t -80.47 165.37 22.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.895 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.548 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 6.7 m-70 -100.99 -7.37 23.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.831 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 36.3 ttt85 -111.22 -53.84 2.66 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.8 -10.36 34.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 55.7 43.82 27.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 23.5 mm100 -117.1 146.35 37.85 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.593 0.711 . . . . 0.0 110.9 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.86 86.52 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.664 2.242 . . . . 0.0 112.319 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.442 HG21 ' HB3' ' A' ' 48' ' ' PHE . 28.7 mt -51.14 -55.62 7.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.103 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 78.29 -116.66 4.47 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.482 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 76.8 p -119.7 86.56 2.58 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.82 0.343 . . . . 0.0 111.12 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 13.6 ptpt -160.63 173.52 15.36 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.917 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 5.1 t -53.62 100.83 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' HB3' HG21 ' A' ' 43' ' ' ILE . 2.7 p90 -144.21 144.51 31.56 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.906 -179.954 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.904 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -99.27 104.7 28.16 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.622 0.725 . . . . 0.0 111.136 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.81 117.76 5.28 Favored 'Trans proline' 0 C--O 1.232 0.177 0 C-N-CA 122.663 2.242 . . . . 0.0 112.362 179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.2 tptt -83.96 153.75 23.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' C ' ' O ' ' A' ' 51' ' ' LYS . 3.6 m-20 -32.99 -67.48 0.12 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -119.33 28.33 8.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.864 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.548 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 82.7 mt-30 -153.55 -178.21 6.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.944 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.521 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 6.6 m-20 -140.93 130.41 23.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -138.98 134.48 33.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.838 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.6 m -64.86 -177.33 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.837 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.644 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 12.3 t -66.02 -51.89 43.5 Favored Pre-proline 0 C--N 1.33 -0.254 0 CA-C-O 121.62 0.724 . . . . 0.0 111.139 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.76 -27.62 26.25 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.659 2.239 . . . . 0.0 112.374 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.3 m -80.22 -53.85 6.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.904 ' CE2' HG21 ' A' ' 49' ' ' ILE . 25.4 t80 -53.83 -50.54 65.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.904 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.664 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 31.1 mm-40 -46.27 -44.69 16.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 80.1 mttt -57.89 -39.25 77.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 46.9 mm-40 -64.92 -41.39 95.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.577 ' CD2' ' HA ' ' A' ' 62' ' ' GLU . 7.6 p80 -110.99 42.44 1.62 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.905 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.664 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -126.07 156.29 40.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.091 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ALA . 6.4 t -34.59 99.4 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -179.95 82.06 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.482 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -9.3 25.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.631 2.221 . . . . 0.0 112.336 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 m -88.32 119.23 28.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.821 -179.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.9 m -160.47 122.12 3.11 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.908 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.518 -179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.536 -0.226 . . . . 0.0 112.536 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.7 p -72.8 116.16 12.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.868 0.365 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.8 p -85.82 136.12 33.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.844 -179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.3 158.89 0.75 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.8 p -139.57 136.61 34.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.886 0.375 . . . . 0.0 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.514 ' CB ' ' NZ ' ' A' ' 21' ' ' LYS . 34.4 m -125.74 112.71 16.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.839 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -115.25 156.85 15.38 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.458 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.501 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 7.2 t -78.36 162.47 26.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.826 0.346 . . . . 0.0 110.856 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mp0 -109.55 -35.45 6.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.918 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -60.18 -65.49 0.67 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.0 p -96.91 5.38 50.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.913 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.8 mppt? 47.26 47.35 16.66 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 2.4 mmpt? -118.08 146.82 43.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.9 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 52.0 m -60.48 114.66 3.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.151 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 77.4 mt -74.83 95.27 0.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.167 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.66 ' O ' HG22 ' A' ' 19' ' ' THR . 28.8 mmt -45.92 153.41 0.66 Allowed Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.577 0.703 . . . . 0.0 110.856 179.876 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 167.83 23.32 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.674 2.25 . . . . 0.0 112.317 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 81.95 -53.66 4.76 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.47 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.66 HG22 ' O ' ' A' ' 16' ' ' MET . 12.2 t -57.03 153.9 10.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.166 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 76.1 mtm180 -88.93 124.63 34.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.514 ' NZ ' ' CB ' ' A' ' 6' ' ' SER . 48.7 pttt -119.25 169.27 10.12 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.872 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.8 mmm -113.85 108.6 17.28 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.886 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -89.35 114.2 25.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.879 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.8 t80 -136.67 121.42 18.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.912 -179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 6.1 mtpm? 59.67 30.82 20.44 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.88 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 93.62 -37.73 3.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.734 -0.745 . . . . 0.0 112.457 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.493 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 33.3 m -76.59 162.08 28.06 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.846 0.355 . . . . 0.0 110.867 -179.72 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 74.4 m -123.71 159.06 30.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.834 -179.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.494 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 13.8 m-90 -142.95 128.3 18.85 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 17.5 m80 -50.46 149.15 3.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.833 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -56.34 -20.06 17.34 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.517 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.6 p -104.16 -14.17 15.96 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.129 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 35.8 m -90.5 -24.13 20.75 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.596 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 43.0 t80 -81.45 18.4 1.17 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.517 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -58.55 169.74 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.12 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.514 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.5 t -73.07 167.67 20.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.854 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.515 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.2 m-70 -101.84 -17.64 16.1 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.86 179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt180 -100.04 -56.98 2.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.893 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.3 p -88.65 -13.29 40.18 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.856 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.1 mm-40 56.64 44.92 23.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 53.3 mt-30 -119.72 145.06 38.42 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.626 0.727 . . . . 0.0 110.93 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.404 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.76 81.72 0.8 Allowed 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.696 2.264 . . . . 0.0 112.336 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.587 HG21 ' HB3' ' A' ' 48' ' ' PHE . 52.6 mt -37.65 -67.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.14 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.83 -87.16 0.9 Allowed Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.443 ' O ' ' C ' ' A' ' 46' ' ' LYS . 56.7 p -132.03 -39.96 1.06 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.865 0.364 . . . . 0.0 111.15 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.459 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -33.46 146.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 18.9 m -43.03 121.07 1.99 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.837 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.587 ' HB3' HG21 ' A' ' 43' ' ' ILE . 9.1 p90 -148.1 140.72 24.54 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.973 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -96.68 104.12 16.99 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.61 0.719 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 119.04 6.05 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.362 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 36.0 tptt -84.81 154.86 22.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.839 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.8 m-20 -33.06 -66.87 0.13 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.888 179.842 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 28.8 m120 -119.61 27.42 8.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.91 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.506 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 61.0 mt-30 -153.42 178.43 9.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.596 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 0.9 OUTLIER -136.67 128.73 29.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.96 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.79 128.89 27.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.851 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.84 -176.66 0.12 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.853 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.64 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 9.8 t -65.63 -51.57 49.24 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.632 0.729 . . . . 0.0 111.118 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.64 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.77 -23.33 30.88 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.252 . . . . 0.0 112.334 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.5 m -87.34 -59.93 2.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.87 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.973 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.9 t80 -49.67 -56.03 11.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.861 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -44.5 -44.42 8.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.925 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 39.0 mttm -60.47 -49.69 76.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.867 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 13.7 mm-40 -52.7 -54.81 28.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.92 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 2.3 t-80 -59.48 -45.61 91.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.862 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -114.78 83.48 1.91 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.107 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.2 t -38.42 122.38 1.09 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.73 -65.97 1.78 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.506 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 137.58 35.68 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.638 2.226 . . . . 0.0 112.355 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 62.1 p -88.19 -46.78 8.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 -179.867 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.0 m -80.04 177.06 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.35 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.517 -179.97 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 89.5 p -172.87 135.59 0.64 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 0.0 110.854 -179.721 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.9 m -107.27 149.56 27.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.888 -179.83 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.85 98.35 0.16 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.521 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.8 p -89.45 -51.03 5.76 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 0.0 110.9 -179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 46.9 m -92.95 81.52 4.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -99.57 154.41 19.7 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.439 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.471 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 15.1 t -78.73 162.4 26.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.535 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 4.1 mm100 -109.95 -34.82 6.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.938 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -60.85 -65.92 0.62 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.5 p -94.35 -4.93 47.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.903 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 44.0 mmtt 61.57 32.22 18.68 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.897 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 30.8 mmtp -103.74 144.86 30.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.916 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 94.3 m -62.96 119.1 8.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.144 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.583 HG12 ' CE1' ' A' ' 30' ' ' HIS . 56.9 mt -83.83 125.31 40.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.131 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -74.24 152.97 88.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.541 0.686 . . . . 0.0 110.868 179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -22.75 31.65 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -65.91 -46.66 80.58 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.48 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 7.2 t -79.2 156.28 28.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.795 0.331 . . . . 0.0 111.089 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.4 ptp180 -88.29 124.05 33.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.904 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.564 ' HB3' HG21 ' A' ' 15' ' ' ILE . 12.4 pttp -110.56 168.59 9.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.921 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 97.2 mmm -114.3 108.78 17.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.893 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 19.1 mt-10 -85.54 114.71 22.77 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.887 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -138.41 116.65 11.86 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.938 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp 62.18 37.51 14.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 87.46 -40.79 3.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.493 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.452 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 16.0 m -76.52 162.27 27.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.853 0.359 . . . . 0.0 110.852 -179.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.7 m -124.18 158.62 31.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.853 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.535 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 12.6 m-90 -141.91 127.69 19.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.928 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.583 ' CE1' HG12 ' A' ' 15' ' ' ILE . 36.6 m80 -49.67 148.45 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 14.6 pt-20 -56.34 -17.51 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.941 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.476 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.8 p -106.91 -11.52 15.69 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.099 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 23.9 m -92.89 -24.02 18.58 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.526 ' CZ ' ' ND2' ' A' ' 55' ' ' ASN . 46.2 t80 -81.65 16.4 1.78 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.875 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.496 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.7 pp -51.06 171.29 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.129 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.496 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.2 t -74.51 167.15 22.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.843 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.503 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.6 m170 -102.25 -13.2 17.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.869 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 22.7 ttt85 -105.08 -54.69 2.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -93.38 -5.88 48.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 74.2 mm-40 50.56 43.7 27.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.908 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 77.5 mm-40 -115.01 145.48 34.14 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.628 0.728 . . . . 0.0 110.937 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 80.24 0.89 Allowed 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.719 2.279 . . . . 0.0 112.357 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 49.4 mt -41.29 -56.58 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.168 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 73.5 -113.22 4.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.473 179.873 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 26.3 p -119.87 85.78 2.44 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.844 0.354 . . . . 0.0 111.2 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 5.4 ptmm? -163.17 156.59 19.52 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.5 m -41.47 105.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.5 p90 -144.33 142.08 30.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.868 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.816 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.72 105.99 30.51 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.664 0.745 . . . . 0.0 111.106 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.1 Cg_endo -69.77 120.14 6.98 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.696 2.264 . . . . 0.0 112.321 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.473 ' O ' ' C ' ' A' ' 52' ' ' ASP . 13.9 tptm -86.69 153.62 21.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.881 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.473 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.8 m-20 -32.48 -67.05 0.12 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.886 179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -120.84 28.82 7.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.503 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 86.9 mt-30 -153.86 176.05 12.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.912 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.526 ' ND2' ' CZ ' ' A' ' 34' ' ' PHE . 1.4 m120 -134.49 129.12 34.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.484 ' CD1' ' NE2' ' A' ' 64' ' ' GLN . 98.2 m-85 -138.25 133.94 33.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -65.56 -178.09 0.5 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.677 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.0 t -66.05 -50.1 53.35 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.597 0.713 . . . . 0.0 111.127 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.0 Cg_endo -69.73 -16.28 37.59 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.701 2.267 . . . . 0.0 112.327 179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.4 m -93.01 -53.72 4.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.927 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.816 ' CE2' HG21 ' A' ' 49' ' ' ILE . 41.2 t80 -59.3 -50.32 74.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.887 -179.909 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 60.8 mm-40 -52.55 -37.54 57.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.1 mtpt -67.54 -62.75 1.27 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.484 ' NE2' ' CD1' ' A' ' 56' ' ' PHE . 7.3 pt20 -56.72 -25.28 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 8.8 t60 -75.3 -48.57 22.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.833 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.64 -43.94 97.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.085 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 2.1 t -126.73 115.54 19.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.881 -179.794 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -68.28 -75.26 0.52 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.475 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 174.54 9.4 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.658 2.239 . . . . 0.0 112.341 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.3 m -115.94 82.0 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.833 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 35.1 t -73.05 121.72 20.63 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.861 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.12 -0.822 . . . . 0.0 112.492 -179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.478 -0.249 . . . . 0.0 112.478 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.2 m -100.04 42.64 1.1 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.839 0.352 . . . . 0.0 110.827 -179.725 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 t -156.54 143.11 18.48 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.894 -179.812 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -92.26 163.82 27.96 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.484 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.6 t -79.66 123.81 27.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.928 0.394 . . . . 0.0 110.881 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.7 m -90.49 -73.7 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 83.03 144.54 5.5 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.5 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.408 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 42.5 t -79.66 162.41 25.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.774 0.321 . . . . 0.0 110.889 -179.879 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.423 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 5.3 mm-40 -107.34 -32.71 7.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.93 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.471 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -64.24 -71.41 0.18 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.872 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -90.09 1.97 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.882 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER 53.99 35.48 22.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.4 mmtp -107.07 145.74 32.05 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 60.7 m -62.69 111.4 2.07 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.167 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.485 HG12 ' CE1' ' A' ' 30' ' ' HIS . 61.9 mt -72.29 102.26 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.118 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.591 ' O ' HG22 ' A' ' 19' ' ' THR . 31.0 mmt -56.12 154.27 15.7 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.564 0.697 . . . . 0.0 110.902 179.813 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 169.58 18.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.647 2.231 . . . . 0.0 112.379 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . 84.78 -55.79 5.0 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.521 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.591 HG22 ' O ' ' A' ' 16' ' ' MET . 11.9 t -58.48 151.59 19.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.8 0.333 . . . . 0.0 111.141 -179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.1 ptm180 -85.49 110.99 19.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.856 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 19.7 pttm -106.58 167.73 9.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.93 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.401 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 78.7 mmm -109.85 115.17 29.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.919 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 31.7 mt-10 -93.6 116.84 29.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.59 ' CE2' ' HD3' ' A' ' 25' ' ' LYS . 62.2 t80 -137.32 118.15 14.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.948 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.59 ' HD3' ' CE2' ' A' ' 24' ' ' TYR . 3.6 mptt 55.46 46.28 23.49 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.895 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.43 -35.35 2.22 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.487 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.59 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.4 m -75.87 162.84 27.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.886 0.374 . . . . 0.0 110.867 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.408 ' OG ' HD12 ' A' ' 15' ' ' ILE . 74.8 p -125.39 158.46 34.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.59 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 15.6 m-90 -144.55 123.42 12.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.485 ' CE1' HG12 ' A' ' 15' ' ' ILE . 17.6 m80 -45.85 158.89 0.08 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.876 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.632 ' HG3' HG23 ' A' ' 32' ' ' THR . 3.6 pt-20 -64.45 -19.21 65.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.632 HG23 ' HG3' ' A' ' 31' ' ' GLU . 63.1 p -108.61 -3.76 17.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.471 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 45.7 m -100.01 -22.83 15.09 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.837 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.401 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 30.8 t80 -83.26 25.32 0.73 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.534 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.9 pp -62.3 166.82 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.082 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.534 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -70.74 167.27 19.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.529 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.1 m-70 -101.89 -14.05 17.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.903 179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -103.42 -56.02 2.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -91.6 -10.74 39.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.895 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 16.1 mp0 55.64 44.35 26.65 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 62.8 mt-30 -114.33 144.25 31.37 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.613 0.72 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 80.72 0.87 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.639 2.226 . . . . 0.0 112.345 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 65.6 mt -44.82 -61.76 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.091 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.22 -110.32 3.32 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.457 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.3 p -125.1 84.48 2.28 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.822 0.344 . . . . 0.0 111.149 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.6 pttp -162.11 164.6 27.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.4 p -42.42 105.02 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.859 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -148.09 143.72 27.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.901 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.7 mp -102.18 104.14 34.86 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.141 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 117.98 5.41 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.721 2.28 . . . . 0.0 112.338 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.489 ' O ' ' C ' ' A' ' 52' ' ' ASP . 4.0 tppt? -84.95 152.04 23.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.939 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.489 ' C ' ' O ' ' A' ' 51' ' ' LYS . 31.7 m-20 -31.14 -68.22 0.09 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.843 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 2.2 p30 -119.36 29.07 7.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.431 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 35.7 mt-30 -152.84 -179.86 8.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.529 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.27 127.62 21.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.891 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -137.15 131.22 32.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.891 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -62.76 -175.25 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.642 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 7.0 t -66.2 -51.78 42.53 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.606 0.717 . . . . 0.0 111.113 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.642 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 -26.92 26.94 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.328 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.2 m -81.91 -51.52 8.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.894 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 55.1 t80 -54.35 -52.33 61.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 -179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -43.14 -46.54 5.91 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.823 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 26.3 mtmm -53.35 -50.95 63.97 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 77.4 mt-30 -66.52 -58.75 4.56 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.953 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 79.5 t60 -44.78 -50.58 10.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -124.72 113.03 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.11 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.2 t -85.21 -53.42 5.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.866 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 130.44 -164.53 22.92 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.509 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 0.9 4.96 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.683 2.256 . . . . 0.0 112.353 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.5 m -46.24 166.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.846 -179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 28.9 t -115.42 45.05 1.73 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.859 -179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.143 -0.809 . . . . 0.0 112.468 -179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.491 -0.243 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.437 ' O ' ' C ' ' A' ' 3' ' ' SER . 25.2 p -125.1 142.47 51.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 0.0 110.855 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.437 ' C ' ' O ' ' A' ' 2' ' ' SER . 42.6 m -35.49 -43.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.861 -179.8 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -37.8 -50.34 1.98 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.511 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -81.43 105.34 12.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.867 0.365 . . . . 0.0 110.889 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' CB ' ' HE3' ' A' ' 21' ' ' LYS . 4.2 m -72.22 115.25 11.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.869 -179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -113.42 142.86 17.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.437 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.487 ' HA ' HD11 ' A' ' 15' ' ' ILE . 45.5 t -68.37 163.24 23.57 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.82 0.343 . . . . 0.0 110.873 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 16.4 mm-40 -109.99 -28.46 8.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.933 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -67.84 -62.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.36 11.08 38.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.87 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? 41.32 46.11 2.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.0 mtmp? -111.35 160.08 17.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.961 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 59.4 m -75.48 107.48 7.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.175 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.646 HG21 ' HB3' ' A' ' 21' ' ' LYS . 27.4 mt -74.55 104.72 3.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.147 179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 32.5 mmt -54.02 147.87 23.54 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.572 0.701 . . . . 0.0 110.894 179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -4.72 14.6 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.653 2.235 . . . . 0.0 112.337 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.65 -40.28 9.03 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.511 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 10.5 t -85.03 156.16 21.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.822 0.344 . . . . 0.0 111.168 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 6.0 mmm180 -89.35 120.11 30.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.857 -179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.646 ' HB3' HG21 ' A' ' 15' ' ' ILE . 11.6 pttm -105.64 168.75 8.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.909 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -112.51 104.82 12.94 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.864 179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -88.36 114.07 24.6 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.871 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 8.3 t80 -138.33 124.64 20.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.914 -179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 37.5 mtmt 58.96 32.82 22.62 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 90.85 -38.42 3.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.502 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.576 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 59.3 m -76.87 162.19 27.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.382 . . . . 0.0 110.822 -179.703 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 2.6 p -126.36 155.32 42.26 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.816 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.576 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 16.9 m-90 -141.79 122.83 14.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.932 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.468 ' CE1' HG12 ' A' ' 15' ' ' ILE . 20.8 m80 -45.87 155.61 0.17 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.851 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -62.21 -15.07 44.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.906 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.2 p -111.91 -7.2 14.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.127 -179.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 32.7 m -95.92 -23.72 16.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 27.3 t80 -81.75 17.1 1.57 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.838 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 2.7 pp -49.05 170.28 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.152 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 8.2 t -75.18 168.8 19.28 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.528 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.7 m-70 -102.89 -15.11 16.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 19.0 ttt85 -103.43 -54.93 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.848 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.7 p -93.35 -7.63 44.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.894 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.2 mp0 52.87 43.68 31.26 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -112.95 146.7 35.66 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.58 0.705 . . . . 0.0 110.965 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 80.25 0.89 Allowed 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.681 2.254 . . . . 0.0 112.304 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.54 HG23 ' HE3' ' A' ' 46' ' ' LYS . 61.6 mt -45.43 -55.86 1.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.114 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 77.74 -116.21 4.43 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.458 179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 51.0 p -120.9 86.33 2.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 111.129 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.54 ' HE3' HG23 ' A' ' 43' ' ' ILE . 27.6 pttt -160.06 176.33 11.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.888 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 37.2 p -55.65 105.87 0.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.862 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -147.46 147.59 30.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.83 -179.932 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.976 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -102.29 104.03 34.58 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.608 0.718 . . . . 0.0 111.132 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.3 Cg_endo -69.75 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.713 2.275 . . . . 0.0 112.344 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.459 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.3 tptp -85.06 154.64 21.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.936 179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.42 -67.25 0.13 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.83 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.4 t30 -119.32 27.52 8.76 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.824 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 75.1 mt-30 -152.93 179.44 8.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.923 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.528 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.7 m120 -140.06 130.16 24.98 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.88 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.7 m-85 -137.71 134.43 35.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.925 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -64.4 -177.13 0.27 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.875 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.635 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 11.2 t -66.49 -51.78 39.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.624 0.726 . . . . 0.0 111.157 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.635 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.76 -21.72 33.11 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.328 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 71.0 m -87.84 -56.92 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.916 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.976 ' CE2' HG21 ' A' ' 49' ' ' ILE . 54.1 t80 -49.32 -34.7 16.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.902 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 51.6 mm-40 -56.02 -44.49 78.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.901 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.3 mptp? -48.6 -48.54 39.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.89 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 15.8 mm100 -76.37 -54.62 6.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.888 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 23.6 t60 -50.99 -65.25 0.59 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.806 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -76.6 115.38 16.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.135 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 73.5 m -124.75 177.28 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 -179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 150.22 176.86 23.67 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.506 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.73 6.95 1.11 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.698 2.265 . . . . 0.0 112.381 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.2 m -73.05 64.7 0.73 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 t -114.77 -52.42 2.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.839 -179.818 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.18 -0.789 . . . . 0.0 112.49 -179.962 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.8 t -93.07 109.2 20.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.729 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.4 m -143.3 174.29 10.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 -179.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 118.74 102.2 2.06 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -124.36 103.73 8.37 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.87 0.367 . . . . 0.0 110.869 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.6 m -81.63 -59.18 2.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.878 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.49 139.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.454 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 33.4 t -75.15 163.06 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.778 0.323 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.466 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 15.8 mm-40 -107.63 -34.73 6.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -62.73 -66.98 0.46 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.7 p -95.91 10.73 36.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.2 mppt? 42.54 42.82 2.94 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.865 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 36.7 mttt -115.32 146.24 41.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.888 179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.8 m -61.55 119.04 7.84 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.18 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.632 HG21 ' HB3' ' A' ' 21' ' ' LYS . 56.1 mt -80.99 96.71 3.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.136 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.575 ' O ' HG22 ' A' ' 19' ' ' THR . 33.6 mmt -47.77 150.76 1.76 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.556 0.693 . . . . 0.0 110.895 179.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -17.64 37.33 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.699 2.266 . . . . 0.0 112.341 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -83.85 41.23 2.94 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.505 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.575 HG22 ' O ' ' A' ' 16' ' ' MET . 11.0 t -165.62 157.45 14.59 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.741 0.305 . . . . 0.0 111.119 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -94.42 120.02 34.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.917 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.632 ' HB3' HG21 ' A' ' 15' ' ' ILE . 6.4 pttp -109.6 170.37 8.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 74.8 mmm -113.03 109.62 19.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.915 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -87.89 117.32 26.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.909 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.593 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 2.7 t80 -137.41 112.28 8.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.907 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.593 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 26.7 mmtp 63.4 43.94 5.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.921 179.88 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.52 -39.13 2.65 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.466 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.605 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 50.8 m -76.02 158.16 32.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.852 0.358 . . . . 0.0 110.872 -179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 22.6 p -122.16 155.66 35.31 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.858 -179.805 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.605 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.4 m-90 -141.82 122.68 14.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.877 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.523 ' CE1' HG12 ' A' ' 15' ' ' ILE . 26.8 m80 -45.79 158.82 0.08 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.527 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.0 pt-20 -63.46 -22.97 67.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.527 HG23 ' HG3' ' A' ' 31' ' ' GLU . 60.6 p -104.55 -2.09 25.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 24.6 m -100.42 -26.37 13.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.421 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 48.6 t80 -81.88 18.15 1.37 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.473 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.8 pp -55.83 162.53 0.52 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.114 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.473 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.4 t -62.36 163.07 9.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.891 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.524 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 8.2 m-70 -96.41 -10.84 26.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.86 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 50.1 ttt85 -107.97 -63.07 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 23.8 p -81.87 -18.53 43.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.4 ' OE1' ' O ' ' A' ' 36' ' ' CYS . 0.2 OUTLIER 64.15 42.09 5.8 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.971 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 32.6 mt-30 -114.93 145.27 33.66 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.605 0.717 . . . . 0.0 110.911 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.402 ' O ' ' C ' ' A' ' 43' ' ' ILE . 53.8 Cg_endo -69.79 79.77 0.93 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.703 2.269 . . . . 0.0 112.335 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.458 HG21 ' HB3' ' A' ' 48' ' ' PHE . 54.5 mt -37.88 -67.19 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.147 179.888 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.85 -123.72 7.93 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.524 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 72.2 p -118.2 41.68 2.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.814 0.34 . . . . 0.0 111.12 -179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.8 ptpt -112.44 172.64 6.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.9 p -54.07 111.14 0.7 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.458 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.1 p90 -147.94 149.48 32.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.884 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.894 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -104.89 104.24 45.38 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.588 0.708 . . . . 0.0 111.149 179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.8 Cg_endo -69.77 119.72 6.62 Favored 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.709 2.273 . . . . 0.0 112.348 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.8 tppt? -85.48 153.9 22.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.915 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -32.49 -67.28 0.12 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.921 179.88 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -119.71 28.19 8.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.432 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.75 -179.02 7.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.902 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.524 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.2 m120 -140.39 129.93 24.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.93 -179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -138.94 133.76 32.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -63.75 -174.92 0.11 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.831 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.657 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 13.7 t -66.74 -51.39 39.83 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.654 0.74 . . . . 0.0 111.138 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.2 Cg_endo -69.8 -22.5 31.79 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.709 2.273 . . . . 0.0 112.321 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 72.7 m -87.38 -52.58 5.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.889 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.894 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.0 t80 -53.33 -50.24 65.41 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 -179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.61 ' O ' ' HB3' ' A' ' 66' ' ' ALA . 0.3 OUTLIER -49.25 -41.48 37.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.927 179.957 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 89.9 mttt -77.06 -62.4 1.66 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.3 tp60 -47.78 -58.49 4.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.921 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -58.36 -56.0 27.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.841 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.61 ' HB3' ' O ' ' A' ' 62' ' ' GLU . . . -92.62 101.01 13.42 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.128 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 89.8 p -62.71 118.43 7.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.824 -179.756 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -87.84 120.49 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.66 101.83 0.94 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.749 2.299 . . . . 0.0 112.357 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.3 t -62.06 143.85 56.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 74.0 m -105.64 95.96 6.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 -179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 CA-C-O 119.115 -0.825 . . . . 0.0 112.509 -179.972 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.524 -0.23 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.3 t -112.28 41.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.902 0.382 . . . . 0.0 110.89 -179.757 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 55.8 p -65.23 88.52 0.08 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.899 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.04 82.37 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.467 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 p -121.31 124.34 44.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.87 0.367 . . . . 0.0 110.878 -179.755 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 11.0 p -93.89 169.09 10.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.19 131.58 2.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.5 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.638 ' HA ' HD11 ' A' ' 15' ' ' ILE . 18.7 t -71.7 162.14 29.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.796 0.332 . . . . 0.0 110.917 -179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.56 ' NE2' ' H ' ' A' ' 28' ' ' SER . 2.0 mp0 -110.0 -36.36 5.89 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.468 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.3 OUTLIER -60.14 -67.04 0.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.858 -179.929 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.404 ' N ' ' OE1' ' A' ' 10' ' ' GLU . 30.4 p -90.43 -11.53 40.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.915 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 32.1 mmtm 62.55 43.39 7.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.876 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 8.5 mmpt? -117.02 138.55 51.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 83.2 m -49.56 117.9 2.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.197 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.638 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.2 mt -83.64 114.93 25.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.264 -0.425 . . . . 0.0 111.115 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 34.3 mmt -66.72 152.19 95.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.626 0.727 . . . . 0.0 110.862 179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -13.08 34.08 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.664 2.243 . . . . 0.0 112.326 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.22 -53.04 4.02 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.481 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 6.0 t -67.13 151.42 47.62 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 111.149 -179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.5 mtp180 -78.98 137.22 37.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.451 ' HB3' HG21 ' A' ' 15' ' ' ILE . 28.1 pttt -131.94 165.4 24.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 93.3 mmm -117.21 111.46 19.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.874 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 57.2 mt-10 -90.36 114.69 26.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.903 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -141.11 123.25 15.61 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.896 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 61.45 40.47 13.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.38 -42.98 3.08 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.468 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.589 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 22.7 m -76.38 161.29 28.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.868 0.366 . . . . 0.0 110.846 -179.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.56 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 50.7 m -122.53 160.51 25.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.876 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.589 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 14.5 m-90 -144.28 126.67 15.83 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.902 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 8.4 m80 -49.94 160.43 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.412 ' HG3' HG23 ' A' ' 32' ' ' THR . 18.0 pt-20 -61.84 -33.09 73.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.863 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.798 ' O ' HG23 ' A' ' 35' ' ' ILE . 65.9 p -91.01 -21.98 21.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.177 -179.904 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.468 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 67.1 m -82.56 -26.36 32.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.461 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 49.3 t80 -83.43 26.06 0.69 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.865 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.798 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -64.57 165.25 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.162 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.5 ' O ' HD12 ' A' ' 35' ' ' ILE . 12.1 t -68.32 163.95 21.86 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.913 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 9.0 m-70 -99.68 -13.67 19.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.812 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.1 ttt85 -102.99 -59.58 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.911 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -86.12 -15.53 40.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 57.8 mm-40 60.05 44.66 12.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 59.8 mt-30 -117.9 146.7 39.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.576 0.703 . . . . 0.0 110.917 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 80.92 0.86 Allowed 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.711 2.274 . . . . 0.0 112.326 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.413 HG23 ' HG2' ' A' ' 46' ' ' LYS . 68.8 mt -39.08 -63.73 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.132 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.22 -113.04 4.6 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.528 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 67.9 p -129.95 40.46 3.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 111.175 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HG2' HG23 ' A' ' 43' ' ' ILE . 1.1 ptmm? -108.94 172.38 6.88 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.3 t -56.26 112.81 1.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.4 p90 -147.96 146.47 28.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.903 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.961 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -97.8 105.75 29.18 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.607 0.717 . . . . 0.0 111.175 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.8 117.65 5.21 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.677 2.251 . . . . 0.0 112.301 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.506 ' O ' ' C ' ' A' ' 52' ' ' ASP . 3.3 tppp? -86.0 151.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.506 ' C ' ' O ' ' A' ' 51' ' ' LYS . 27.9 m-20 -29.6 -67.43 0.08 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.841 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.48 ' ND2' ' HG3' ' A' ' 54' ' ' GLN . 1.7 p-10 -121.48 28.97 7.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.889 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.48 ' HG3' ' ND2' ' A' ' 53' ' ' ASN . 35.4 mt-30 -152.46 175.4 12.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.926 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.45 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.6 m-80 -135.01 125.94 27.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.851 -179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -134.8 131.52 37.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.874 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -63.28 -177.74 0.21 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.669 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 22.2 t -65.79 -50.26 55.18 Favored Pre-proline 0 C--N 1.33 -0.256 0 CA-C-O 121.633 0.73 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.81 -21.95 32.55 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.639 2.226 . . . . 0.0 112.333 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 83.5 m -88.35 -58.49 2.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.961 ' CE2' HG21 ' A' ' 49' ' ' ILE . 65.0 t80 -48.85 -52.46 24.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' O ' ' HB2' ' A' ' 66' ' ' ALA . 68.8 mm-40 -44.58 -42.92 7.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.862 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 34.7 mttm -69.93 -56.75 6.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 4.4 tp-100 -49.75 -56.0 11.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.882 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.46 ' CG ' ' O ' ' A' ' 65' ' ' HIS . 85.4 t60 -80.4 43.09 0.62 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.478 ' HB2' ' O ' ' A' ' 62' ' ' GLU . . . -143.93 149.47 36.89 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.098 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 9.6 t -53.89 155.46 3.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.821 -179.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.56 -173.27 39.02 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.45 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 1.32 4.56 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.643 2.228 . . . . 0.0 112.344 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 14.5 t -109.52 160.44 16.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.0 t -110.47 -55.63 2.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.866 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.294 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.46 -179.995 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.519 -0.232 . . . . 0.0 112.519 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -126.42 -46.52 1.61 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.842 0.353 . . . . 0.0 110.853 -179.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.1 m -83.21 -51.2 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.881 -179.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.62 171.01 15.23 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 25.3 m -108.37 -63.3 1.34 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.878 0.37 . . . . 0.0 110.843 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 28.2 m -88.03 150.34 23.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.63 168.71 24.38 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.449 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.556 ' HA ' HD11 ' A' ' 15' ' ' ILE . 32.9 t -92.12 162.4 14.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.851 0.357 . . . . 0.0 110.849 -179.892 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.442 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 2.0 mp0 -109.96 -33.15 6.79 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.884 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -60.09 -70.24 0.18 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.886 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.5 p -90.66 -10.98 41.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.869 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 52.4 mmtt 63.49 45.98 4.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.912 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.9 mmpt? -120.34 136.02 54.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 99.1 m -46.78 118.42 2.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.726 HG21 ' HD3' ' A' ' 21' ' ' LYS . 61.2 mt -84.93 106.75 15.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.105 179.897 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.491 ' O ' HG22 ' A' ' 19' ' ' THR . 31.8 mmt -53.84 155.94 5.49 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.591 0.71 . . . . 0.0 110.871 179.832 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 -48.98 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.703 2.268 . . . . 0.0 112.326 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -50.38 -47.35 43.77 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.487 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.491 HG22 ' O ' ' A' ' 16' ' ' MET . 14.2 t -67.74 154.08 42.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.778 0.323 . . . . 0.0 111.15 -179.861 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.3 mtt180 -94.28 142.79 27.01 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.879 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.726 ' HD3' HG21 ' A' ' 15' ' ' ILE . 9.4 pttm -139.88 152.98 46.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 82.6 mmm -88.79 157.39 18.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.895 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 24.4 mt-10 -131.25 114.38 14.97 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.53 ' CE1' ' HB2' ' A' ' 50' ' ' PRO . 42.1 t80 -141.43 148.19 39.14 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.943 -179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.504 ' HG2' ' CE2' ' A' ' 24' ' ' TYR . 15.7 mmmt 43.67 36.52 1.27 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.87 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.02 -37.46 2.36 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.596 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 47.9 m -76.34 150.9 36.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.866 0.365 . . . . 0.0 110.874 -179.78 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 7.7 m -108.01 156.6 19.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.596 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 10.9 m-90 -140.59 135.93 32.28 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.884 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.413 ' CE1' HG12 ' A' ' 15' ' ' ILE . 3.5 m80 -47.96 176.67 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.819 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -80.79 -26.32 37.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.854 -179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.7 p -110.71 15.78 21.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.19 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' SG ' ' HB2' ' A' ' 30' ' ' HIS . 51.5 m -113.28 -24.29 9.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.906 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -82.55 19.31 1.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.901 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.428 ' C ' HD12 ' A' ' 35' ' ' ILE . 2.8 pp -50.79 166.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 14.5 t -69.16 166.52 18.1 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.553 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.9 m-70 -99.22 -17.21 18.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.885 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 29.8 ttt85 -100.25 -61.81 1.32 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.843 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . 0.428 ' HB2' ' NE2' ' A' ' 41' ' ' GLN . 20.5 p -82.35 -18.31 42.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 72.0 mm-40 62.17 44.12 8.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.946 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . 0.428 ' NE2' ' HB2' ' A' ' 39' ' ' CYS . 60.5 mt-30 -119.72 148.43 46.18 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.589 0.709 . . . . 0.0 110.958 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.404 ' N ' HG22 ' A' ' 35' ' ' ILE . 53.0 Cg_endo -69.85 82.42 0.77 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.7 2.267 . . . . 0.0 112.323 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 70.6 mt -43.76 -56.1 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.116 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 79.41 -111.46 3.26 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.462 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 66.9 p -125.32 84.63 2.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.821 0.343 . . . . 0.0 111.152 -179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 15.3 ptmt -159.69 167.67 27.81 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.919 179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 70.7 m -47.89 106.93 0.1 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.899 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.1 p90 -147.81 142.88 27.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.865 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.033 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -99.46 105.3 32.47 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.652 0.739 . . . . 0.0 111.098 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.53 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.76 117.73 5.26 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.707 2.271 . . . . 0.0 112.369 179.844 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 52' ' ' ASP . 16.6 tptp -84.41 154.7 22.65 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.461 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.8 OUTLIER -33.58 -67.21 0.13 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.912 179.897 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 27.6 t-20 -119.29 27.82 8.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.913 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.553 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -152.8 175.19 13.14 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 4.0 m-80 -135.53 124.42 24.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.897 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -133.71 134.19 42.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -64.37 -176.63 0.24 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.621 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.4 t -67.01 -52.54 30.68 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.617 0.723 . . . . 0.0 111.142 179.884 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.621 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.5 Cg_endo -69.76 -16.75 37.72 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.656 2.237 . . . . 0.0 112.376 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -92.17 -51.4 5.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.86 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 1.033 ' CE2' HG21 ' A' ' 49' ' ' ILE . 27.6 t80 -57.47 -42.83 83.37 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.887 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 4.4 mm-40 -51.45 -41.98 61.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 41.0 mttm -59.99 -49.25 78.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.893 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 10.5 mm100 -53.36 -43.45 67.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 72.8 t60 -70.36 -53.5 16.37 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.857 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -77.13 118.16 19.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.05 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 38.1 p -118.68 131.99 56.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.837 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 179.75 -86.06 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.496 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.458 ' O ' ' N ' ' A' ' 71' ' ' SER . 54.0 Cg_endo -69.77 1.62 4.28 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.67 2.246 . . . . 0.0 112.35 -179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 27.2 m -55.61 84.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.857 -179.868 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.458 ' N ' ' O ' ' A' ' 69' ' ' PRO . 13.1 t -126.44 87.67 2.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.858 -179.791 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.522 -179.938 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.535 -0.226 . . . . 0.0 112.535 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 75.7 p -118.58 103.74 10.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.85 0.357 . . . . 0.0 110.888 -179.739 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.6 p -110.07 138.3 46.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.78 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.63 156.76 28.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.493 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 m -54.91 -65.62 0.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.845 0.355 . . . . 0.0 110.848 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.3 m -120.39 111.02 17.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.85 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -118.53 150.32 18.11 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.507 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.578 ' HA ' HD11 ' A' ' 15' ' ' ILE . 19.6 t -78.98 162.19 26.13 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.793 0.33 . . . . 0.0 110.869 -179.891 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.538 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 8.4 mm-40 -105.7 -38.47 6.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.473 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -60.61 -71.54 0.13 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.883 -179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.4 p -81.41 -13.39 58.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.863 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.1 mmtm 60.69 46.24 9.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 52.2 mmtt -113.94 -174.96 2.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.833 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 24.5 m -92.69 111.11 22.6 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.578 HD11 ' HA ' ' A' ' 8' ' ' CYS . 64.8 mt -80.49 103.76 7.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.139 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.2 mmt -54.25 146.17 32.69 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.559 0.695 . . . . 0.0 110.907 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -0.62 7.15 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.651 2.234 . . . . 0.0 112.348 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -89.14 -44.36 5.07 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.506 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.8 t -80.92 154.98 26.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.807 0.337 . . . . 0.0 111.139 -179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.1 mtt85 -85.11 145.73 27.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.88 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.551 ' HD3' HG21 ' A' ' 15' ' ' ILE . 17.3 pttp -135.99 166.65 22.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.449 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.8 mmm -104.09 108.48 19.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.856 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -85.76 112.76 21.37 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.909 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.587 ' CE1' ' HB2' ' A' ' 25' ' ' LYS . 5.4 t80 -140.32 128.89 22.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.891 -179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.587 ' HB2' ' CE1' ' A' ' 24' ' ' TYR . 7.5 ttpp 53.31 42.97 32.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.884 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.3 -39.93 2.33 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.437 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.531 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 67.4 m -76.44 162.31 27.95 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.869 0.366 . . . . 0.0 110.884 -179.769 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 66.4 m -126.75 154.34 44.33 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.813 -179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.538 ' CE2' ' HB2' ' A' ' 9' ' ' GLN . 15.6 m-90 -137.27 127.91 26.95 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.943 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 5.9 m80 -44.61 152.11 0.23 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.852 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -48.87 -24.52 1.49 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.855 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.68 ' O ' HG23 ' A' ' 35' ' ' ILE . 7.1 p -101.57 -58.24 1.92 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.13 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.473 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.6 m -39.3 -24.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.508 ' N ' ' O ' ' A' ' 32' ' ' THR . 49.2 t80 -80.6 27.02 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.839 -179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.68 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -57.4 -177.65 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.091 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.528 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.9 t -88.35 166.87 13.98 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.527 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.8 m-70 -100.83 -11.04 20.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.821 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.3 ttt85 -107.68 -55.39 2.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.5 p -91.71 -12.83 32.88 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 57.41 43.68 22.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 46.2 mt-30 -115.67 148.69 41.64 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.631 0.729 . . . . 0.0 110.889 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 81.42 0.82 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 2.248 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.404 HG21 ' CB ' ' A' ' 48' ' ' PHE . 61.8 mt -46.27 -52.03 3.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.086 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 72.9 -121.62 7.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.481 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.7 p -115.4 87.09 2.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.895 0.379 . . . . 0.0 111.141 -179.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -160.68 173.03 16.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.914 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 42.0 m -53.65 102.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.848 -179.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.404 ' CB ' HG21 ' A' ' 43' ' ' ILE . 2.9 p90 -145.69 144.87 30.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.888 -179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.796 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -98.31 104.59 24.1 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.623 0.725 . . . . 0.0 111.16 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.55 5.75 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.699 2.266 . . . . 0.0 112.356 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 9.8 tppt? -87.82 152.45 22.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.46 -67.8 0.1 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.87 179.885 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.2 t30 -119.78 28.77 7.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.9 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.524 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 49.1 mt-30 -153.47 176.59 11.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.925 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.527 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 23.6 m-20 -138.72 126.26 21.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 -134.66 134.73 41.47 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.76 -177.78 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.915 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 24.8 t -65.68 -50.47 55.29 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.638 0.732 . . . . 0.0 111.087 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.71 -25.27 29.01 Favored 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.693 2.262 . . . . 0.0 112.323 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 98.7 m -84.61 -57.06 3.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.796 ' CE2' HG21 ' A' ' 49' ' ' ILE . 59.6 t80 -51.73 -47.69 63.94 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.6 mt-10 -53.25 -41.45 65.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.904 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 33.3 mttm -61.85 -43.77 98.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 43.3 mt-30 -47.72 -47.5 30.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 57.7 t60 -81.13 -56.79 3.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.417 ' HB1' ' HG2' ' A' ' 69' ' ' PRO . . . -57.24 108.69 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.093 179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 44.2 t -111.04 -49.92 2.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 -179.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.472 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -49.2 -59.97 6.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.499 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.472 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.7 Cg_endo -69.83 -42.49 3.28 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.705 2.27 . . . . 0.0 112.313 -179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.3 m -128.8 110.75 12.42 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.786 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 37.5 m -61.24 125.3 23.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.888 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.089 -0.839 . . . . 0.0 112.513 -179.995 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 N-CA-C 112.471 -0.252 . . . . 0.0 112.471 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.6 m -95.0 -62.88 1.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.866 0.365 . . . . 0.0 110.859 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 m -113.55 135.18 54.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.24 143.2 3.63 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.519 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.3 p -137.4 115.69 11.81 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 110.851 -179.708 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 t -83.87 -61.48 1.81 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.867 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 79.19 129.53 0.65 Allowed Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.531 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.461 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 16.8 t -71.42 162.36 29.56 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.793 0.33 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.461 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 5.3 mp0 -107.49 -35.5 6.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.913 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 4.8 tp10 -60.37 -70.44 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.86 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.3 p -90.79 3.16 55.16 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.933 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt 49.98 46.1 24.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.877 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.7 mmmm -118.04 142.7 47.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.897 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 95.0 m -58.1 117.05 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.129 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 73.6 mt -78.34 96.63 1.98 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.12 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.678 ' O ' HG22 ' A' ' 19' ' ' THR . 29.0 mmt -43.39 147.32 0.77 Allowed Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.586 0.708 . . . . 0.0 110.885 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -16.83 37.84 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.667 2.245 . . . . 0.0 112.303 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -92.52 43.38 2.64 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.542 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 16' ' ' MET . 15.0 t -161.56 151.91 17.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.818 0.342 . . . . 0.0 111.152 -179.853 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 3.7 ptm85 -82.35 134.31 35.25 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.879 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.4 pttt -126.33 166.88 16.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.0 mmm -114.4 115.04 26.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 179.876 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -89.71 117.45 28.58 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.566 ' CD1' ' HG3' ' A' ' 25' ' ' LYS . 4.6 t80 -132.84 103.3 6.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.947 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.566 ' HG3' ' CD1' ' A' ' 24' ' ' TYR . 13.9 mtpt 63.23 49.45 3.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.95 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.26 -36.65 2.19 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.705 -0.759 . . . . 0.0 112.474 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 69.0 m -75.8 156.23 34.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.849 -179.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 61.7 p -120.48 155.21 34.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.9 m-90 -142.18 124.83 15.87 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.9 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.465 ' O ' ' N ' ' A' ' 32' ' ' THR . 5.8 m80 -44.78 141.35 2.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.826 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.413 ' HG3' HG23 ' A' ' 32' ' ' THR . 12.1 pt-20 -40.7 -24.92 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.929 -179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.775 ' O ' HG23 ' A' ' 35' ' ' ILE . 35.1 p -100.92 -55.71 2.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.181 -179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 62.0 m -41.7 -23.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 48.8 t80 -81.47 21.8 0.75 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.862 -179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.775 HG23 ' O ' ' A' ' 32' ' ' THR . 2.7 pp -52.89 177.84 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.177 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.443 ' O ' HD12 ' A' ' 35' ' ' ILE . 10.8 t -80.48 165.12 22.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.894 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.544 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 7.5 m-70 -97.08 -10.93 25.1 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.876 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 26.5 ttt-85 -109.37 -63.17 1.39 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.897 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.6 p -83.1 -7.9 59.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.877 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 50.3 mm-40 51.8 44.7 29.13 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.907 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.0 mt-30 -118.47 147.67 42.4 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.608 0.718 . . . . 0.0 110.903 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 88.57 0.53 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.706 2.27 . . . . 0.0 112.354 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 54.6 mt -46.61 -64.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.117 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 92.25 -92.56 1.7 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.491 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.454 ' O ' ' C ' ' A' ' 46' ' ' LYS . 18.1 p -122.6 -32.23 3.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.839 0.352 . . . . 0.0 111.137 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' THR . 10.1 mtmm -33.3 127.59 0.33 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.646 ' O ' HG23 ' A' ' 58' ' ' VAL . 6.8 m -48.3 101.75 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.834 -179.831 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 34.4 p90 -117.33 154.79 30.65 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.852 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.679 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.3 mp -96.06 105.84 24.42 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.606 0.717 . . . . 0.0 111.146 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 54.0 Cg_endo -69.71 119.3 6.27 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.678 2.252 . . . . 0.0 112.339 179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.463 ' O ' ' C ' ' A' ' 52' ' ' ASP . 19.3 tptm -86.34 154.3 21.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 51' ' ' LYS . 38.7 m-20 -32.96 -67.35 0.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.829 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.433 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 33.0 m120 -119.47 27.82 8.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.944 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.435 ' O ' ' N ' ' A' ' 51' ' ' LYS . 37.1 mt-30 -155.28 176.45 12.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.944 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.544 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -137.56 133.29 34.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.952 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.8 m-85 -139.59 140.18 36.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -69.63 -176.3 1.0 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 40.6 t -66.91 -50.22 44.05 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.666 0.746 . . . . 0.0 111.148 179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.68 -16.17 37.75 Favored 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.671 2.247 . . . . 0.0 112.377 179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.8 m -94.28 -55.19 3.27 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.679 ' CE2' HG21 ' A' ' 49' ' ' ILE . 60.8 t80 -53.35 -54.1 41.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.909 -179.882 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -44.49 -44.89 8.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.1 mtpm? -72.46 -50.92 22.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.928 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -48.58 -45.8 38.35 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 82.4 t60 -68.54 -49.23 61.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.814 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -59.68 156.79 13.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.125 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.4 p -86.99 104.4 16.26 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.854 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -144.6 141.17 9.82 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -50.69 0.44 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.644 2.229 . . . . 0.0 112.373 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 52.9 p 41.51 40.09 1.24 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.839 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 97.1 p -124.95 156.95 37.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.84 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.242 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.469 -179.979 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.449 -0.26 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 71.4 m -66.96 152.25 46.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.925 0.393 . . . . 0.0 110.829 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.7 t -94.97 129.71 41.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 120.03 97.6 1.67 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.467 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 16.7 t -114.84 -51.36 2.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.861 0.362 . . . . 0.0 110.854 -179.75 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.427 ' CB ' ' HE2' ' A' ' 21' ' ' LYS . 2.1 m -77.79 147.74 35.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.841 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.65 124.85 3.59 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.504 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.426 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -49.3 162.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.719 0.295 . . . . 0.0 110.938 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 7.0 mm-40 -109.11 -34.5 6.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.946 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.47 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.1 tm-20 -61.96 -71.28 0.16 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.4 p -87.56 -12.4 45.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.865 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER 62.32 43.42 8.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.89 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 7.5 mmmm -115.71 135.36 54.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.859 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 77.4 m -49.51 112.27 0.62 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.16 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.549 HG21 ' HB3' ' A' ' 21' ' ' LYS . 68.8 mt -77.42 109.97 12.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.119 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.607 ' O ' HG22 ' A' ' 19' ' ' THR . 29.6 mmt -61.08 154.79 59.11 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.585 0.707 . . . . 0.0 110.811 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -22.07 32.55 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.704 2.27 . . . . 0.0 112.32 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -81.03 47.2 3.52 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.473 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.607 HG22 ' O ' ' A' ' 16' ' ' MET . 14.1 t -169.66 156.33 6.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.81 0.338 . . . . 0.0 111.144 -179.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.5 mmt85 -93.19 105.5 17.58 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.914 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.549 ' HB3' HG21 ' A' ' 15' ' ' ILE . 7.2 ptpp? -95.63 168.95 10.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.898 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.8 mmm -114.49 102.67 10.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.928 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 21.0 mt-10 -91.27 120.79 32.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.899 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.429 ' CD1' ' HG2' ' A' ' 25' ' ' LYS . 9.8 t80 -141.44 117.66 10.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.93 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' HG2' ' CD1' ' A' ' 24' ' ' TYR . 39.9 mmtt 60.5 41.43 15.75 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.89 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.12 -30.58 3.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.41 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 70.6 m -77.41 161.87 27.67 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.85 0.357 . . . . 0.0 110.883 -179.756 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 10.8 p -130.95 154.13 48.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.853 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.41 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 20.7 m-90 -143.5 125.75 15.57 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.9 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 7.1 m80 -47.98 149.73 1.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.832 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 13.6 pt-20 -46.47 -20.28 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.855 ' O ' HG23 ' A' ' 35' ' ' ILE . 12.4 p -107.9 -53.95 2.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.11 -179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.47 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 52.2 m -39.96 -24.3 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.488 ' N ' ' O ' ' A' ' 32' ' ' THR . 19.2 t80 -82.24 26.19 0.56 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.845 -179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.855 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -61.31 172.45 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.57 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.1 t -75.39 165.87 24.47 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.499 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 6.4 m-70 -99.37 -11.82 20.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.488 ' O ' ' NE2' ' A' ' 40' ' ' GLN . 6.5 ttt-85 -107.43 -58.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.846 -179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.9 p -87.74 -9.59 53.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . 0.488 ' NE2' ' O ' ' A' ' 38' ' ' ARG . 0.0 OUTLIER 54.38 43.35 30.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.936 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 69.7 mm-40 -117.33 147.05 39.72 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.6 0.714 . . . . 0.0 110.902 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 88.34 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.7 2.266 . . . . 0.0 112.349 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 86.4 mt -42.84 -71.5 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.124 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 104.65 -95.45 1.14 Allowed Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.47 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.436 ' O ' ' C ' ' A' ' 46' ' ' LYS . 36.8 p -125.5 -23.88 4.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.892 0.377 . . . . 0.0 111.145 -179.861 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.9 mmmt -33.95 150.67 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.577 ' O ' HG23 ' A' ' 58' ' ' VAL . 1.8 m -70.26 74.19 0.5 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.855 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 31.9 p90 -87.77 164.98 15.67 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.918 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.766 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -108.22 105.12 55.9 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.589 0.709 . . . . 0.0 111.11 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.419 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.6 Cg_endo -69.78 118.32 5.61 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.732 2.288 . . . . 0.0 112.304 179.872 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.481 ' O ' ' C ' ' A' ' 52' ' ' ASP . 12.7 ttmm -86.04 154.82 21.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.88 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.481 ' C ' ' O ' ' A' ' 51' ' ' LYS . 5.1 m-20 -31.37 -69.08 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.878 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m120 -118.78 26.55 9.47 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.844 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.467 ' O ' ' N ' ' A' ' 51' ' ' LYS . 52.8 mt-30 -153.09 174.91 13.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.499 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.6 OUTLIER -134.94 138.24 43.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.902 -179.944 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.6 ' CZ ' ' OE1' ' A' ' 64' ' ' GLN . 88.3 m-85 -144.67 139.02 27.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.3 m -68.01 -176.9 0.75 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.922 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.682 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 23.6 t -66.12 -50.07 52.87 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 111.081 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.682 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.76 -28.81 24.81 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.646 2.231 . . . . 0.0 112.35 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 73.4 m -80.61 -48.37 12.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.88 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.766 ' CE2' HG21 ' A' ' 49' ' ' ILE . 44.1 t80 -59.05 -32.58 69.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.906 -179.878 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 26.9 mm-40 -62.85 -41.95 99.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.901 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 46.1 mtmt -75.6 -39.54 57.79 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.909 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.6 ' OE1' ' CZ ' ' A' ' 56' ' ' PHE . 34.4 tt0 -66.03 -31.13 71.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.908 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 59.1 t60 -80.13 -49.77 11.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.837 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -68.07 133.15 48.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.095 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 30.2 m -89.23 121.0 31.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.865 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -153.97 69.19 0.3 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.484 -179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -13.28 34.58 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.664 2.243 . . . . 0.0 112.353 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.9 t -124.51 85.99 2.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.3 t -126.24 108.64 11.48 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.46 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -43.66 142.64 1.18 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.875 0.369 . . . . 0.0 110.842 -179.712 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -92.38 161.2 14.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.884 -179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -53.51 146.25 21.35 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.1 m -146.91 155.5 42.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.837 0.351 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.5 m -136.4 165.69 25.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.855 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.8 138.86 5.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.517 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.462 ' HA ' HD11 ' A' ' 15' ' ' ILE . 33.8 t -64.61 161.17 18.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.777 0.322 . . . . 0.0 110.888 -179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.426 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 4.7 mm100 -109.49 -34.64 6.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.474 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.0 OUTLIER -62.31 -69.36 0.26 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.87 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 24.0 p -88.69 -12.12 43.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.9 mmmt 60.54 45.5 10.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.903 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 4.8 mmpt? -116.37 134.65 54.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.896 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 78.0 m -47.54 113.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.166 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.576 HG21 ' HB3' ' A' ' 21' ' ' LYS . 59.6 mt -79.23 117.39 24.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 28.6 mmt -68.59 154.58 94.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.621 0.724 . . . . 0.0 110.846 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -19.25 36.25 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.645 2.23 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -70.01 -46.05 53.69 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.52 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.2 t -82.5 157.57 23.53 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.779 0.323 . . . . 0.0 111.106 -179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 15.6 mtp85 -91.7 141.03 29.13 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.868 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.576 ' HB3' HG21 ' A' ' 15' ' ' ILE . 16.0 pttm -124.33 167.29 14.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 84.8 mmm -111.41 102.97 11.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 179.884 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -84.36 112.27 20.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -140.25 122.72 16.11 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.945 -179.846 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 59.12 40.03 22.39 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.86 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 84.09 -39.34 2.87 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.485 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.577 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 63.5 m -76.48 162.11 28.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 0.0 110.837 -179.728 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 37.4 m -126.75 154.96 43.51 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.814 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.577 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 22.1 m-90 -141.01 124.72 16.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.907 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.409 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.1 m80 -45.82 145.95 1.3 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 6.3 pt-20 -44.08 -22.55 0.06 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.737 ' O ' HG23 ' A' ' 35' ' ' ILE . 14.0 p -103.7 -55.98 2.29 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 -179.888 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.474 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 55.2 m -40.67 -23.6 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.908 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.484 ' N ' ' O ' ' A' ' 32' ' ' THR . 37.8 t80 -81.34 24.15 0.57 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.737 HG23 ' O ' ' A' ' 32' ' ' THR . 2.6 pp -54.86 178.62 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.105 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.511 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.0 t -84.08 169.03 15.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.441 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 3.9 m-70 -102.79 -14.27 16.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.818 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 33.1 ttt-85 -105.54 -52.79 2.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 27.3 p -93.9 -12.28 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 23.8 mp0 56.78 43.51 25.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.926 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 87.0 mt-30 -114.5 147.92 39.11 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.586 0.708 . . . . 0.0 110.922 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 84.99 0.64 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.708 2.272 . . . . 0.0 112.336 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 66.7 mt -47.73 -60.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 87.28 -108.97 3.41 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.477 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 81.5 p -132.14 41.5 3.23 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.845 0.355 . . . . 0.0 111.128 -179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' O ' ' C ' ' A' ' 47' ' ' SER . 43.1 pttt -112.15 153.77 26.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 179.877 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.438 ' C ' ' O ' ' A' ' 46' ' ' LYS . 42.6 m -35.1 106.52 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.829 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 4.1 p90 -147.14 149.21 32.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.884 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.882 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -103.5 104.85 44.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.544 0.688 . . . . 0.0 111.159 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.9 Cg_endo -69.79 117.77 5.28 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.492 ' HG3' ' N ' ' A' ' 52' ' ' ASP . 0.1 OUTLIER -84.88 150.39 25.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.916 179.904 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.492 ' N ' ' HG3' ' A' ' 51' ' ' LYS . 46.3 m-20 -30.34 -69.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.864 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.0 m-80 -117.06 30.58 7.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.444 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 26.2 mt-30 -156.42 178.32 10.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.891 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.441 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.4 m120 -137.77 132.41 32.67 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.92 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -141.6 134.83 29.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -67.32 -177.9 0.76 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.893 -179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.676 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 26.9 t -65.71 -50.04 57.19 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.603 0.716 . . . . 0.0 111.16 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.81 -19.3 36.04 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.68 2.254 . . . . 0.0 112.282 179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 84.7 m -92.58 -62.7 1.34 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.905 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.882 ' CE2' HG21 ' A' ' 49' ' ' ILE . 71.2 t80 -43.64 -38.9 3.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.962 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.59 ' HA ' ' CD2' ' A' ' 65' ' ' HIS . 0.0 OUTLIER -58.89 -38.45 78.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.872 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.459 ' N ' ' HD2' ' A' ' 63' ' ' LYS . 9.2 mmmm -66.65 -31.82 72.75 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.931 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 8.9 tm0? -60.0 -41.66 92.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.921 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.59 ' CD2' ' HA ' ' A' ' 62' ' ' GLU . 7.0 p80 -85.86 -41.35 15.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.89 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 65' ' ' HIS . . . -50.29 141.0 12.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.12 179.891 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 22.7 m -96.75 142.61 28.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -177.2 -106.63 0.2 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.455 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 102.36 1.01 Allowed 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 87.5 p -79.64 113.64 17.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.84 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 30.3 p -87.22 42.42 1.03 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.893 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.182 -0.788 . . . . 0.0 112.452 -179.978 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.9 m -79.41 122.83 26.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.874 0.369 . . . . 0.0 110.843 -179.694 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.0 m -83.88 -57.87 3.02 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -169.25 126.87 1.42 Allowed Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.511 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.8 t -95.67 132.68 40.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.91 0.386 . . . . 0.0 110.88 -179.719 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.5 m -89.1 -60.04 2.06 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.81 -179.772 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.81 132.67 0.64 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.485 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.762 ' HA ' HD11 ' A' ' 15' ' ' ILE . 54.0 t -77.81 163.16 26.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.799 0.333 . . . . 0.0 110.924 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' NE2' ' H ' ' A' ' 28' ' ' SER . 2.6 mp0 -110.91 -30.3 7.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.477 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 1.8 tm-20 -65.26 -60.48 2.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 27.2 p -101.28 2.53 39.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.928 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER 52.72 40.1 29.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.939 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmpt? -111.07 140.2 45.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.894 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.7 m -54.54 114.71 1.78 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.128 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.762 HD11 ' HA ' ' A' ' 8' ' ' CYS . 56.6 mt -78.16 96.44 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.156 179.881 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 28.5 mmt -46.79 145.27 3.2 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.548 0.69 . . . . 0.0 110.883 179.865 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -4.87 14.88 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.699 2.266 . . . . 0.0 112.368 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -105.06 55.39 0.57 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.507 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 8.4 t -169.95 159.71 7.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.735 0.302 . . . . 0.0 111.157 -179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -84.87 113.18 21.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.889 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 11.5 pttm -113.45 169.21 9.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.886 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 96.9 mmm -117.33 112.34 20.59 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 34.7 mt-10 -94.98 112.33 24.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.916 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.556 ' CE2' ' HB2' ' A' ' 50' ' ' PRO . 10.2 t80 -133.97 115.19 14.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.928 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.4 mtpt 63.45 42.7 6.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.894 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.0 -39.22 2.73 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.508 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.585 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 16.9 m -76.23 152.17 36.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.9 0.381 . . . . 0.0 110.856 -179.733 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.486 ' H ' ' NE2' ' A' ' 9' ' ' GLN . 9.6 p -117.04 157.18 26.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.877 -179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.585 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 14.2 m-90 -143.22 134.23 25.6 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 15.4 m80 -56.78 157.71 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.859 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 18.9 pt-20 -62.62 -27.07 68.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.535 ' O ' HG23 ' A' ' 35' ' ' ILE . 69.1 p -97.29 -15.04 20.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.477 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 65.5 m -90.84 -26.13 19.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.515 ' CE1' ' OD1' ' A' ' 55' ' ' ASN . 48.0 t80 -81.79 27.63 0.45 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.535 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.18 168.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 12.3 t -73.52 166.75 22.66 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.92 179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.525 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 18.7 m-70 -104.08 -15.45 15.56 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 44.1 ttt-85 -98.68 -53.07 3.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.916 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 21.9 p -94.64 -15.0 24.36 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.837 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 20.7 mp0 59.75 43.55 15.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.909 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 71.9 mt-30 -118.9 146.48 40.27 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.611 0.719 . . . . 0.0 110.888 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 79.89 0.91 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.697 2.265 . . . . 0.0 112.325 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 83.8 mt -38.51 -66.29 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.125 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 84.82 -112.12 3.59 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.479 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.9 p -122.28 85.6 2.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.797 0.332 . . . . 0.0 111.1 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 16.0 ptmt -162.53 170.96 17.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.873 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 86.7 p -52.32 104.5 0.09 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -147.53 147.69 30.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.847 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.566 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.9 mp -105.24 109.13 62.85 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.612 0.72 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.556 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.7 Cg_endo -69.83 120.2 7.01 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.654 2.236 . . . . 0.0 112.327 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.498 ' O ' ' C ' ' A' ' 52' ' ' ASP . 17.3 tptm -89.12 151.83 21.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.498 ' C ' ' O ' ' A' ' 51' ' ' LYS . 13.5 m-20 -30.64 -67.44 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.893 179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 m120 -121.03 28.96 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.952 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.471 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 93.5 mt-30 -152.64 176.48 11.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.893 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.525 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.3 m-80 -134.74 122.53 22.29 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.893 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 -131.57 130.87 42.79 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.847 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -65.34 -176.21 0.3 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.634 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 10.4 t -66.91 -52.22 33.38 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.612 0.72 . . . . 0.0 111.113 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.634 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.79 -16.2 37.33 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.344 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.1 m -92.66 -53.75 4.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.934 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.566 ' CE2' HG21 ' A' ' 49' ' ' ILE . 57.8 t80 -59.03 -44.84 91.8 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.859 -179.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.2 mt-10 -59.33 -28.91 67.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -83.75 -61.68 1.77 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.937 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -31.13 63.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.859 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.433 ' CB ' ' O ' ' A' ' 61' ' ' TYR . 67.4 t60 -72.1 -67.5 0.54 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.817 -179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -61.0 169.62 1.9 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.16 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 32.9 p -54.23 151.39 7.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.889 -179.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 145.21 140.34 3.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.478 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 86.96 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.685 2.256 . . . . 0.0 112.341 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -110.33 112.18 23.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.1 m -53.15 167.67 0.17 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 CA-C-O 119.179 -0.789 . . . . 0.0 112.502 -179.989 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -83.51 47.48 1.27 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.823 0.344 . . . . 0.0 110.852 -179.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.2 m -123.89 164.62 18.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.85 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.64 -114.65 0.43 Allowed Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 p -155.04 164.7 38.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.847 0.356 . . . . 0.0 110.88 -179.728 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.9 t -59.23 -66.21 0.55 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.888 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 73.85 139.18 0.46 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.445 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.573 ' HA ' HD11 ' A' ' 15' ' ' ILE . 42.7 t -78.61 161.99 26.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.782 0.325 . . . . 0.0 110.886 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.41 ' HB3' ' CE2' ' A' ' 29' ' ' TRP . 1.0 OUTLIER -106.67 -34.08 7.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.929 -179.977 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.409 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 11.0 tp10 -64.37 -70.71 0.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.922 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 30.9 p -84.15 -13.1 53.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.862 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 19.8 mmmt 62.9 42.41 7.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.896 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 5.0 mmmm -115.8 137.23 52.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 88.0 m -51.02 111.67 0.59 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.177 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 8' ' ' CYS . 59.0 mt -76.94 115.76 19.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 30.9 mmt -67.03 151.17 97.42 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.547 0.689 . . . . 0.0 110.889 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -12.11 32.22 Favored 'Trans proline' 0 C--N 1.341 0.141 0 C-N-CA 122.713 2.275 . . . . 0.0 112.354 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -78.83 -39.31 21.07 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.453 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 12.7 t -88.8 157.03 18.61 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.778 0.323 . . . . 0.0 111.138 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -82.22 155.36 24.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.845 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.476 ' HB3' HG21 ' A' ' 15' ' ' ILE . 14.3 pttm -146.26 165.89 27.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.464 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 94.5 mmm -116.69 105.18 12.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.84 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -83.91 115.01 22.08 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.862 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 17.9 t80 -141.39 115.02 8.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.907 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 22.0 mtpp 63.62 47.72 3.63 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.7 -45.53 2.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.474 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.481 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 49.8 m -76.15 162.26 28.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.864 0.364 . . . . 0.0 110.86 -179.711 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.5 ' C ' ' CE3' ' A' ' 29' ' ' TRP . 3.0 t -127.68 168.21 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.873 -179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CE3' ' C ' ' A' ' 28' ' ' SER . 11.3 m-90 -144.78 127.14 15.86 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.944 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.477 ' O ' ' N ' ' A' ' 32' ' ' THR . 6.2 m80 -47.47 145.21 2.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.904 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -39.9 -25.27 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.716 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.8 p -102.62 -55.83 2.37 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.102 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.409 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 54.4 m -40.42 -24.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.557 ' CE1' ' ND2' ' A' ' 55' ' ' ASN . 35.5 t80 -82.07 21.5 0.88 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.716 HG23 ' O ' ' A' ' 32' ' ' THR . 2.5 pp -50.15 -176.67 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.111 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.43 ' O ' HD12 ' A' ' 35' ' ' ILE . 11.4 t -88.29 166.78 14.07 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.889 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.55 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 4.0 m-70 -99.9 -9.8 22.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.878 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 51.0 ttt-85 -109.29 -58.88 1.97 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.2 p -88.83 -9.97 49.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 54.66 44.75 28.11 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.901 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.5 mm-40 -116.31 149.04 42.91 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.591 0.71 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 85.97 0.6 Allowed 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.649 2.233 . . . . 0.0 112.338 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 69.1 mt -48.36 -63.64 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.141 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 95.99 -115.61 5.21 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.494 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 77.6 p -129.54 41.63 3.42 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.824 0.345 . . . . 0.0 111.119 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.43 ' O ' ' C ' ' A' ' 47' ' ' SER . 14.6 pttp -112.17 155.14 24.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 46' ' ' LYS . 13.7 m -35.38 109.01 0.08 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.828 -179.856 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.0 p90 -148.14 145.94 28.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 1.062 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.0 mp -97.69 103.45 16.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.609 0.719 . . . . 0.0 111.15 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.422 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.7 Cg_endo -69.72 118.97 6.0 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.71 2.273 . . . . 0.0 112.314 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 52' ' ' ASP . 23.9 tptp -85.02 154.69 21.94 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.907 179.857 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.465 ' C ' ' O ' ' A' ' 51' ' ' LYS . 1.0 OUTLIER -33.19 -66.17 0.15 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.86 179.915 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 -121.71 27.54 8.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.897 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.55 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 34.3 mt-30 -151.05 178.26 9.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.914 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.557 ' ND2' ' CE1' ' A' ' 34' ' ' PHE . 1.0 OUTLIER -138.07 127.35 24.54 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.9 -179.959 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.8 m-85 -135.28 134.7 40.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.842 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -65.89 -177.87 0.53 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.859 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.678 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 25.3 t -65.4 -50.15 59.76 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.618 0.723 . . . . 0.0 111.154 179.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.76 -23.79 30.4 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 81.5 m -86.08 -59.46 2.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 1.062 ' CE2' HG21 ' A' ' 49' ' ' ILE . 62.1 t80 -52.3 -51.52 58.17 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.928 -179.87 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -47.62 -42.49 24.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 59.2 mttm -63.31 -62.84 1.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 6.0 mm-40 -47.92 -36.39 12.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 19.9 t60 -68.85 -37.29 79.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.81 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . 0.444 ' O ' ' C ' ' A' ' 67' ' ' SER . . . -106.5 36.5 2.59 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.094 179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.444 ' C ' ' O ' ' A' ' 66' ' ' ALA . 82.3 p 34.76 42.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.852 -179.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -51.38 166.37 0.77 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.512 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.67 105.56 1.49 Allowed 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.726 2.284 . . . . 0.0 112.361 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.1 t -112.96 123.14 49.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.884 -179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.2 m -46.75 145.32 1.98 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.839 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 CA-C-O 119.175 -0.792 . . . . 0.0 112.487 -179.991 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -102.62 177.2 4.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.908 0.385 . . . . 0.0 110.907 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.4 p -138.04 142.03 40.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.796 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 64.58 105.76 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.497 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -156.41 134.42 11.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.3 m -153.55 169.63 22.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.63 134.64 7.77 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.569 ' HA ' HD11 ' A' ' 15' ' ' ILE . 10.4 t -74.48 162.48 28.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.478 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.2 mm100 -110.4 -34.37 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.923 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 5.5 tp10 -59.76 -66.19 0.56 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 26.8 p -95.59 -4.69 44.12 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.89 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 mmtm 61.17 34.96 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.87 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 75.1 mmtt -104.25 144.18 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 33.4 m -58.13 121.82 11.61 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.179 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.569 HD11 ' HA ' ' A' ' 8' ' ' CYS . 66.0 mt -84.74 106.74 15.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.11 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.526 ' O ' HG22 ' A' ' 19' ' ' THR . 32.8 mmt -58.98 152.34 50.66 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.607 0.718 . . . . 0.0 110.909 179.852 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -16.42 37.68 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.712 2.275 . . . . 0.0 112.33 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -94.35 58.51 1.97 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.477 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.526 HG22 ' O ' ' A' ' 16' ' ' MET . 13.1 t -173.83 153.76 2.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.818 0.342 . . . . 0.0 111.108 -179.816 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 22.6 mtp180 -91.42 115.02 27.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.414 ' HD3' HG21 ' A' ' 15' ' ' ILE . 16.4 pttm -109.47 171.55 7.37 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 90.0 mmm -113.31 104.87 12.75 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -84.86 115.77 22.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.904 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 9.7 t80 -141.22 119.05 11.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.924 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 15.4 mmtm 60.73 44.49 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.22 -42.76 2.6 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.785 -0.722 . . . . 0.0 112.478 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.5 ' HB2' ' CH2' ' A' ' 29' ' ' TRP . 73.3 m -76.37 157.47 32.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.851 0.358 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.2 m -122.4 160.83 24.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.868 -179.812 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.5 ' CH2' ' HB2' ' A' ' 27' ' ' SER . 12.0 m-90 -141.17 127.44 19.74 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.929 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CE1' ' HB2' ' A' ' 8' ' ' CYS . 31.5 m80 -50.59 154.14 1.43 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.891 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -60.19 -24.47 64.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.896 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 64.9 p -102.39 1.17 35.06 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.151 -179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 21.2 m -104.84 -27.51 11.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.917 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . . . . . . . . . 46.1 t80 -80.97 14.34 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.414 HD12 ' O ' ' A' ' 36' ' ' CYS . 2.6 pp -47.43 175.56 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.151 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.414 ' O ' HD12 ' A' ' 35' ' ' ILE . 8.4 t -77.69 166.32 23.13 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.905 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.45 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 3.8 m-70 -99.77 -13.83 19.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 56.9 ttt-85 -105.62 -58.68 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.9 p -87.66 -8.8 55.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.887 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 73.1 mm-40 52.76 44.3 30.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 88.4 mm-40 -117.47 147.57 40.98 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.573 0.701 . . . . 0.0 110.929 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 81.96 0.78 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.648 2.232 . . . . 0.0 112.388 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.419 ' CG2' ' HG3' ' A' ' 46' ' ' LYS . 68.7 mt -39.49 -61.29 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 96.01 -116.47 5.43 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.495 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 58.5 p -127.76 43.08 3.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.821 0.343 . . . . 0.0 111.138 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HG3' ' CG2' ' A' ' 43' ' ' ILE . 0.0 OUTLIER -111.32 168.3 9.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.942 179.851 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.461 ' O ' HG23 ' A' ' 58' ' ' VAL . 34.1 m -52.62 108.82 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.812 -179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 6.0 p90 -143.34 144.11 31.95 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.716 HG21 ' CZ ' ' A' ' 61' ' ' TYR . 4.1 mp -96.92 103.43 14.91 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.607 0.718 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.4 Cg_endo -69.8 121.8 8.47 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.63 2.22 . . . . 0.0 112.349 179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.493 ' O ' ' C ' ' A' ' 52' ' ' ASP . 18.0 ttmt -91.22 155.28 18.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.493 ' C ' ' O ' ' A' ' 51' ' ' LYS . 33.3 m-20 -31.12 -70.31 0.06 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.443 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 1.5 m120 -119.12 28.1 8.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.9 -179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.45 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 32.7 mt-30 -151.66 169.28 22.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.939 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 3.4 m-20 -134.04 125.7 28.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.922 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 95.1 m-85 -133.78 135.38 43.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.926 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.2 m -66.12 -175.61 0.34 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.0 t -66.69 -50.34 45.79 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.641 0.734 . . . . 0.0 111.153 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.75 -21.49 33.47 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.667 2.244 . . . . 0.0 112.337 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 85.8 m -89.81 -41.82 11.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.842 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.716 ' CZ ' HG21 ' A' ' 49' ' ' ILE . 49.3 t80 -68.8 -51.05 44.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.939 -179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -56.54 -33.21 65.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 32.2 mttm -66.15 -60.25 2.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.935 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -66.12 -57.11 8.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 74.8 t60 -42.17 -47.37 4.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.89 104.82 16.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.112 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.4 t -49.88 131.39 22.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.889 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -140.64 -99.59 0.4 Allowed Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.469 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.717 2.278 . . . . 0.0 112.329 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.3 m -69.5 83.29 0.41 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.84 -179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 t -160.98 127.41 3.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.507 -179.969 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.457 -0.257 . . . . 0.0 112.457 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -99.06 141.18 32.14 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.895 0.378 . . . . 0.0 110.846 -179.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.9 m -72.89 144.61 47.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -52.45 -60.07 8.26 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.505 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -73.08 173.58 9.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.898 0.38 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.419 ' CB ' ' HE3' ' A' ' 21' ' ' LYS . 44.3 m -143.6 144.92 32.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.929 -179.848 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.45 159.89 22.04 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.476 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.563 ' HA ' HD11 ' A' ' 15' ' ' ILE . 15.7 t -88.11 162.05 16.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.749 0.309 . . . . 0.0 110.875 -179.905 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.459 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -109.91 -34.43 6.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.912 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -62.53 -68.4 0.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.839 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 23.6 p -89.03 -14.63 36.02 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.845 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt 63.93 44.94 4.51 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.862 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -119.77 134.28 55.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.917 179.84 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -43.74 116.23 0.93 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.142 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.563 HD11 ' HA ' ' A' ' 8' ' ' CYS . 76.5 mt -83.21 99.04 5.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.126 179.903 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 33.6 mmt -43.92 149.02 0.7 Allowed Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.578 0.704 . . . . 0.0 110.852 179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 -10.75 29.34 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.724 2.283 . . . . 0.0 112.373 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -80.23 -55.75 3.41 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.513 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.1 t -68.98 151.68 46.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.786 0.327 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 27.8 mmt85 -83.02 148.84 27.32 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.876 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.507 ' HB3' HG21 ' A' ' 15' ' ' ILE . 15.1 pttm -131.2 171.94 12.72 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.411 ' HG3' ' CG ' ' A' ' 34' ' ' PHE . 99.8 mmm -117.48 102.84 9.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 17.0 mt-10 -84.3 115.28 22.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.885 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -136.98 110.73 8.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.909 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 34.0 mttp 63.09 43.19 6.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.923 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 85.16 -36.8 3.03 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.455 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.582 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 26.0 m -75.96 162.51 28.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.836 0.351 . . . . 0.0 110.902 -179.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 56.6 m -132.17 159.47 38.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.582 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.6 m-90 -143.89 130.48 20.11 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.421 ' C ' ' N ' ' A' ' 32' ' ' THR . 4.1 m80 -51.87 143.11 13.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.893 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -43.54 -22.64 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.904 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 1.035 ' O ' HG23 ' A' ' 35' ' ' ILE . 6.8 p -102.96 -41.07 6.25 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.143 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . . . . . . . . . 41.3 m -58.6 -20.21 45.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.872 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.424 ' CD2' ' O ' ' A' ' 34' ' ' PHE . 40.1 t80 -84.23 26.88 0.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.867 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 1.035 HG23 ' O ' ' A' ' 32' ' ' THR . 2.8 pp -59.87 177.96 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.16 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.492 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 13.1 t -81.37 166.68 20.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.887 179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.509 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -99.99 -16.78 17.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.816 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 28.7 ttt85 -100.42 -61.13 1.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.5 p -84.8 -16.93 39.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.9 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 49.9 mm-40 61.63 44.44 8.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 11.5 mm100 -117.76 149.14 44.62 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.633 0.73 . . . . 0.0 110.869 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 88.25 0.54 Allowed 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.658 2.238 . . . . 0.0 112.329 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 64.2 mt -50.91 -64.25 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.269 -0.423 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 100.11 -116.34 5.55 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.459 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 80.6 p -130.25 41.43 3.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.874 0.369 . . . . 0.0 111.142 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.97 170.38 8.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 1.4 t -48.59 108.42 0.18 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.881 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 3.2 p90 -148.32 145.4 28.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.848 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.795 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.3 mp -97.41 103.71 17.15 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.617 0.722 . . . . 0.0 111.091 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.79 118.08 5.47 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.618 2.212 . . . . 0.0 112.357 179.86 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 52' ' ' ASP . 15.1 tptm -83.48 152.71 24.81 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.487 ' C ' ' O ' ' A' ' 51' ' ' LYS . 7.1 m-20 -31.23 -67.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.89 179.861 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.427 ' O ' ' CG ' ' A' ' 53' ' ' ASN . 39.5 t30 -121.11 28.53 7.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.438 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 45.9 mt-30 -153.26 177.48 10.8 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.509 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 1.8 m120 -135.6 133.78 38.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.908 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 98.3 m-85 -142.58 131.26 22.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 m -62.38 -177.99 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.888 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.684 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.4 t -65.94 -49.9 55.53 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.637 0.732 . . . . 0.0 111.162 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.684 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.72 -25.68 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.344 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 89.3 m -84.29 -54.59 4.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.795 ' CE2' HG21 ' A' ' 49' ' ' ILE . 78.1 t80 -55.48 -52.29 64.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.928 -179.906 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -45.52 -45.08 13.09 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.862 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 30.4 mttm -54.52 -47.24 73.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.902 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -53.17 -46.33 68.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 70.7 t60 -92.55 42.02 1.09 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -149.66 164.15 35.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 87.5 p -105.09 164.28 11.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.897 -179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -110.52 83.46 0.33 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.495 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 2.73 3.24 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.646 2.231 . . . . 0.0 112.371 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.5 m -137.4 173.07 12.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.873 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.3 m -44.34 126.12 5.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.872 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.155 -0.803 . . . . 0.0 112.479 179.996 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.6 t -149.19 157.31 43.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 0.0 110.846 -179.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.8 m -138.24 124.21 20.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.883 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 136.04 55.38 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 96.1 p -86.97 101.97 13.94 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.874 0.369 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -119.63 -71.39 0.74 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.58 119.89 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.458 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.432 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 38.1 t -51.6 162.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.779 0.323 . . . . 0.0 110.935 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.432 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 13.6 mm-40 -107.6 -34.58 6.97 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.469 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 17.2 tp10 -64.67 -70.96 0.2 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.867 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.8 p -84.46 -16.34 42.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 18.6 mmmt 66.54 39.2 3.88 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 6.4 mmmm -110.82 136.25 50.14 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.872 179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 69.8 m -51.53 109.56 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.137 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.612 HG21 ' HB3' ' A' ' 21' ' ' LYS . 70.3 mt -75.0 117.94 20.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.155 179.872 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . . . . . . . . . 31.4 mmt -66.06 154.01 90.62 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.561 0.696 . . . . 0.0 110.881 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 -2.71 10.61 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.693 2.262 . . . . 0.0 112.329 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.83 -67.99 1.4 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.428 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 11.2 t -55.06 155.29 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.796 0.331 . . . . 0.0 111.144 -179.862 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.2 ptp180 -91.8 109.3 20.63 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.87 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.612 ' HB3' HG21 ' A' ' 15' ' ' ILE . 40.0 pttt -92.8 170.37 9.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 87.3 mmm -117.44 108.09 15.12 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.828 179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -87.45 116.09 25.32 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.888 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 15.4 t80 -140.03 118.79 12.42 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.939 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 20.0 mtmt 61.36 35.69 17.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.32 -33.78 3.57 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.471 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.575 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 35.0 m -76.4 159.17 30.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 110.872 -179.746 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 19.9 p -122.2 152.06 40.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.879 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.575 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 17.2 m-90 -142.7 125.09 15.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.902 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.414 ' C ' ' N ' ' A' ' 32' ' ' THR . 5.2 m80 -48.22 147.39 2.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.877 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 17.0 pt-20 -43.7 -22.57 0.05 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.866 ' O ' HG23 ' A' ' 35' ' ' ILE . 20.7 p -105.27 -54.6 2.46 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.469 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 58.8 m -41.87 -22.82 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.851 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.458 ' N ' ' O ' ' A' ' 32' ' ' THR . 27.1 t80 -82.0 24.32 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.873 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.866 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -59.56 174.39 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.127 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.479 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 15.6 t -79.0 164.97 23.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.882 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.48 ' CD2' ' H ' ' A' ' 55' ' ' ASN . 5.1 m-70 -96.66 -10.91 25.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.908 179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 38.5 ttt-85 -108.94 -63.43 1.35 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.804 -179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 25.6 p -81.83 -9.32 59.64 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 24.0 mp0 52.67 45.27 28.99 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 14.4 mm-40 -120.37 147.81 46.06 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.547 0.689 . . . . 0.0 110.935 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 85.69 0.62 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.63 2.22 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . . . . . . . . . 52.8 mt -42.48 -69.27 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.171 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 97.5 -86.54 0.83 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.497 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . 0.457 ' O ' ' C ' ' A' ' 46' ' ' LYS . 30.5 p -127.66 -34.21 2.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.854 0.359 . . . . 0.0 111.126 -179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' C ' ' O ' ' A' ' 45' ' ' THR . 16.0 mttm -33.46 128.58 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.682 ' O ' HG23 ' A' ' 58' ' ' VAL . 72.0 m -48.83 112.12 0.57 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 40.8 p90 -124.61 162.02 24.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.85 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.0 mp -102.92 106.21 49.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.612 0.72 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 117.8 5.3 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.636 2.224 . . . . 0.0 112.354 179.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 52' ' ' ASP . 39.6 tptt -86.37 154.6 21.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.896 179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' C ' ' O ' ' A' ' 51' ' ' LYS . 0.9 OUTLIER -32.55 -66.55 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.842 179.883 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 24.8 t30 -121.04 27.81 8.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.853 -179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.44 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 64.4 mt-30 -153.68 -179.88 8.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.945 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.48 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 0.4 OUTLIER -140.69 137.95 33.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -145.03 141.13 28.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 m -71.25 -177.46 1.75 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.899 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.682 HG23 ' O ' ' A' ' 47' ' ' SER . 54.5 t -66.75 -49.66 48.33 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.61 0.719 . . . . 0.0 111.113 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -13.65 34.95 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.356 179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.7 m -97.87 -61.29 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.85 ' CE2' HG21 ' A' ' 49' ' ' ILE . 50.5 t80 -43.95 -35.54 2.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.971 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -58.74 -43.17 90.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.465 ' N ' ' HE3' ' A' ' 63' ' ' LYS . 0.1 OUTLIER -55.56 -55.64 29.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -48.47 -48.71 37.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.925 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 46.5 m-70 -98.73 39.95 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.823 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -96.59 -50.72 4.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.6 p -106.54 116.71 32.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.837 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -94.36 -79.68 1.46 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.467 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 154.29 68.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.7 2.267 . . . . 0.0 112.336 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 59.7 m 54.04 42.64 31.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.874 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.7 t -164.7 145.13 7.61 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.505 -179.981 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.378 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.8 m 55.41 40.79 31.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.91 0.386 . . . . 0.0 110.868 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.9 m -54.08 158.7 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.875 -179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -90.02 36.82 3.46 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.6 m -62.06 91.11 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.923 0.392 . . . . 0.0 110.89 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 t -96.74 -60.5 1.59 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 103.85 131.28 7.16 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.485 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.544 ' HA ' HD11 ' A' ' 15' ' ' ILE . 40.6 t -86.82 162.34 17.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.802 0.334 . . . . 0.0 110.834 -179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.417 ' N ' ' SG ' ' A' ' 8' ' ' CYS . 9.8 mm100 -108.45 -33.27 7.12 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.893 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.467 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 3.2 tp10 -61.38 -68.28 0.33 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.5 p -94.43 4.44 53.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 1.1 mmmp? 50.53 42.29 26.46 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.7 mmtp -112.46 144.95 41.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.893 179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 85.3 m -58.52 117.65 4.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.108 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.544 HD11 ' HA ' ' A' ' 8' ' ' CYS . 78.7 mt -79.83 95.56 2.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.144 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.498 ' O ' HG22 ' A' ' 19' ' ' THR . 33.1 mmt -43.56 148.8 0.66 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -20.86 34.35 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.684 2.256 . . . . 0.0 112.307 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.0 57.7 4.31 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.524 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.498 HG22 ' O ' ' A' ' 16' ' ' MET . 5.8 t -175.0 160.84 2.85 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.811 0.339 . . . . 0.0 111.107 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp85 -96.57 117.62 31.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.45 ' HB3' HG21 ' A' ' 15' ' ' ILE . 1.9 pttm -104.35 169.36 8.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . . . . . . . . . 99.5 mmm -112.83 102.8 10.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 179.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 22.2 mt-10 -86.99 114.8 23.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.929 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 3.7 t80 -134.7 115.22 13.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 3.2 mmmp? 62.4 40.98 10.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.24 -37.8 3.1 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.479 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 48.8 m -76.39 162.58 27.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.852 0.358 . . . . 0.0 110.879 -179.734 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 45.6 m -127.86 158.28 38.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.0 m-90 -143.52 131.2 21.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.933 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.461 ' O ' ' N ' ' A' ' 32' ' ' THR . 7.4 m80 -49.75 141.69 9.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.813 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.441 ' HG3' HG23 ' A' ' 32' ' ' THR . 5.5 pt-20 -40.31 -25.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 -179.928 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.794 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -100.43 -58.63 1.86 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.126 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.467 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.4 m -39.43 -24.58 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.915 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.503 ' N ' ' O ' ' A' ' 32' ' ' THR . 33.3 t80 -80.92 31.35 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.901 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.794 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -66.51 177.06 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.163 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.494 ' O ' ' CD1' ' A' ' 35' ' ' ILE . 10.1 t -80.25 162.22 24.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.916 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 5.5 m-70 -96.88 -8.41 30.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.849 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 30.5 ttt85 -108.67 -63.48 1.34 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.886 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.6 p -83.33 -12.31 56.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.89 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 58.19 43.36 20.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.9 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.3 mm-40 -120.11 148.91 48.07 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.601 0.715 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 87.77 0.55 Allowed 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.5 HG21 ' HB3' ' A' ' 48' ' ' PHE . 65.7 mt -41.56 -69.02 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.143 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 107.37 -116.7 5.02 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.498 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 41.7 p -126.36 37.96 4.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.84 0.352 . . . . 0.0 111.169 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -92.38 178.57 5.79 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . 0.516 ' O ' ' CG2' ' A' ' 58' ' ' VAL . 0.9 OUTLIER -78.72 60.48 2.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.878 -179.939 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.5 ' HB3' HG21 ' A' ' 43' ' ' ILE . 16.2 p90 -86.92 145.53 26.51 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.896 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.865 HG21 ' CE2' ' A' ' 61' ' ' TYR . 3.3 mp -95.88 104.15 15.61 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.593 0.711 . . . . 0.0 111.122 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 118.27 5.58 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.269 . . . . 0.0 112.344 179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.454 ' O ' ' C ' ' A' ' 52' ' ' ASP . 2.8 tppp? -77.69 154.62 31.95 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.876 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.454 ' C ' ' O ' ' A' ' 51' ' ' LYS . 15.0 m-20 -33.49 -67.43 0.13 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.842 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.3 p-10 -118.32 27.6 8.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.86 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.448 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 43.3 mt-30 -154.48 178.95 9.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 -132.24 149.28 52.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -157.08 136.71 12.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.22 -175.74 0.82 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.879 -179.941 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.651 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 20.4 t -66.55 -51.62 40.24 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.611 0.72 . . . . 0.0 111.138 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.651 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.7 Cg_endo -69.78 -21.98 32.62 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.703 2.268 . . . . 0.0 112.324 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 79.0 m -86.09 -52.53 5.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.856 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.865 ' CE2' HG21 ' A' ' 49' ' ' ILE . 58.1 t80 -55.92 -52.38 64.32 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 42.2 mm-40 -50.11 -42.05 49.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.927 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 64.5 mttt -57.76 -50.1 74.37 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 11.9 mm100 -63.54 -39.91 95.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 14.3 t60 -92.74 43.2 1.12 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.869 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -118.42 133.73 55.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.11 179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -89.74 108.6 19.78 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.859 -179.781 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 155.39 -172.7 33.59 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.459 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.73 0.53 5.5 Favored 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.682 2.255 . . . . 0.0 112.338 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 6.9 t -79.58 131.33 35.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.858 -179.872 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.5 m 58.7 46.45 14.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.877 -179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.494 -179.977 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 1' ' ' GLY . 60.6 p 36.35 46.98 0.45 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 0.0 110.89 -179.741 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 m -69.59 106.92 3.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.812 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.519 ' H ' HG21 ' A' ' 14' ' ' THR . . . -103.24 -172.38 26.12 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.497 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.3 t -104.85 -51.83 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.912 0.387 . . . . 0.0 110.846 -179.714 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.2 p -72.45 159.21 34.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.921 -179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.18 131.29 3.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.53 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.642 ' HA ' HD11 ' A' ' 15' ' ' ILE . 41.0 t -65.94 162.26 19.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.813 0.339 . . . . 0.0 110.858 -179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.495 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 16.0 mm-40 -107.19 -35.59 6.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.908 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.459 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.4 OUTLIER -61.94 -72.89 0.11 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.932 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 29.6 p -83.51 -11.32 57.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.893 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 4.0 mmmm 60.46 46.74 9.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 11.2 mmtp -118.84 134.46 55.14 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.915 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.519 HG21 ' H ' ' A' ' 4' ' ' GLY . 46.4 m -46.96 111.53 0.41 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.112 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.642 HD11 ' HA ' ' A' ' 8' ' ' CYS . 65.9 mt -74.99 120.82 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.132 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.483 ' O ' HG22 ' A' ' 19' ' ' THR . 34.9 mmt -75.49 152.91 85.65 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.597 0.713 . . . . 0.0 110.902 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -11.23 30.48 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.655 2.237 . . . . 0.0 112.386 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -87.77 39.31 3.11 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.526 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.483 HG22 ' O ' ' A' ' 16' ' ' MET . 14.8 t -167.84 151.46 6.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.794 0.33 . . . . 0.0 111.117 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 8.9 ptp180 -87.34 120.62 28.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.853 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 pttm -107.61 162.29 14.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.944 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.52 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 95.0 mmm -103.49 105.08 15.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.843 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -85.46 113.57 21.84 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . . . . . . . . . 30.9 t80 -139.25 115.23 10.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.894 -179.849 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.5 mttt 63.78 39.54 8.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 179.894 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 83.36 -30.24 3.41 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.459 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 46.7 m -81.79 162.28 22.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.867 0.365 . . . . 0.0 110.834 -179.707 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 57.9 m -128.28 156.2 43.4 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.856 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 16.3 m-90 -142.52 126.28 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.888 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.488 ' O ' ' N ' ' A' ' 32' ' ' THR . 9.6 m80 -46.49 141.76 3.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.826 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -39.05 -26.43 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.879 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.564 ' O ' HG23 ' A' ' 35' ' ' ILE . 34.7 p -99.01 -59.13 1.79 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.134 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.459 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 56.3 m -39.84 -23.82 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.837 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.52 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 32.7 t80 -81.25 23.76 0.58 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.915 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.564 HG23 ' O ' ' A' ' 32' ' ' THR . 2.1 pp -49.24 -178.39 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.166 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . . . . . . . . . 12.2 t -87.78 166.56 14.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.896 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.532 ' CE1' ' HG2' ' A' ' 54' ' ' GLN . 5.0 m-70 -100.18 -7.35 24.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.805 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 20.6 ttt-85 -112.6 -54.81 2.59 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.848 -179.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 26.4 p -95.04 -4.14 47.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.897 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 52.5 mm-40 49.3 43.82 23.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 92.6 mt-30 -112.68 146.74 35.66 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.582 0.706 . . . . 0.0 110.955 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 83.71 0.68 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.679 2.253 . . . . 0.0 112.361 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.406 HG21 ' HB3' ' A' ' 48' ' ' PHE . 48.7 mt -46.66 -58.28 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.144 179.897 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.45 -112.25 4.12 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 37.0 p -132.77 41.78 3.14 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.905 0.384 . . . . 0.0 111.158 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -110.02 171.77 7.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.925 179.885 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 3.4 m -51.15 107.28 0.17 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.882 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.8 p90 -146.03 143.82 29.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.842 HG21 ' CE2' ' A' ' 61' ' ' TYR . 4.8 mp -96.22 103.96 15.59 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.583 0.706 . . . . 0.0 111.149 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.427 ' HD2' ' HA ' ' A' ' 49' ' ' ILE . 53.5 Cg_endo -69.77 118.45 5.69 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.708 2.272 . . . . 0.0 112.321 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.474 ' CE ' ' NE2' ' A' ' 64' ' ' GLN . 16.1 tppt? -83.72 154.37 23.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.896 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 51' ' ' LYS . 42.9 m-20 -33.44 -67.03 0.13 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.897 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 47.6 t30 -119.21 27.46 8.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.915 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.532 ' HG2' ' CE1' ' A' ' 37' ' ' HIS . 67.1 mt-30 -152.04 -178.59 6.86 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . 0.515 ' H ' ' CD2' ' A' ' 37' ' ' HIS . 2.8 m120 -141.18 124.65 16.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.863 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . 0.535 ' CG ' ' OE1' ' A' ' 64' ' ' GLN . 98.0 m-85 -133.08 135.17 45.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.875 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.5 m -64.45 -176.15 0.21 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.63 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 8.7 t -67.25 -52.62 28.54 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.654 0.74 . . . . 0.0 111.108 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.63 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.77 -17.47 37.51 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.617 2.211 . . . . 0.0 112.347 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 91.7 m -91.45 -49.01 6.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.842 ' CE2' HG21 ' A' ' 49' ' ' ILE . 53.2 t80 -58.71 -32.24 69.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.963 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.4 mt-10 -57.61 -30.86 65.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.849 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.3 mptp? -65.35 -60.41 3.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.914 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . 0.535 ' OE1' ' CG ' ' A' ' 56' ' ' PHE . 10.5 pt20 -67.93 -55.27 13.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.908 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . 0.511 ' HB2' ' CE2' ' A' ' 61' ' ' TYR . 45.9 t60 -42.45 -60.34 1.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.897 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -85.45 132.94 34.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.056 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -128.22 170.02 13.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.818 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -167.39 143.43 8.24 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.505 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -11.79 31.57 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.333 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.412 ' O ' ' C ' ' A' ' 71' ' ' SER . 8.3 t -80.19 171.77 14.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.895 -179.822 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.412 ' C ' ' O ' ' A' ' 70' ' ' SER . 95.8 p 36.89 42.42 0.23 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.772 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.267 0 CA-C-O 119.148 -0.807 . . . . 0.0 112.476 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.7 m -67.51 -49.13 64.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.875 -179.697 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 13.9 t -68.65 -61.08 1.97 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -67.8 140.54 36.68 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -91.67 144.27 25.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.887 0.375 . . . . 0.0 110.866 -179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.8 m 57.89 42.37 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.848 -179.858 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.35 155.53 51.24 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' CYS . . . . . 0.477 ' SG ' ' N ' ' A' ' 9' ' ' GLN . 11.5 t -79.95 162.82 24.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.796 0.331 . . . . 0.0 110.886 -179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.532 ' HB2' ' CE2' ' A' ' 29' ' ' TRP . 14.0 mm-40 -109.85 -34.74 6.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.465 ' CB ' ' HB3' ' A' ' 33' ' ' CYS . 0.2 OUTLIER -59.47 -66.5 0.5 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.909 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.26 11.15 40.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.854 -179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.3 mmtm 43.39 46.82 5.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.52 147.74 37.37 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.919 179.854 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 86.3 m -62.87 110.74 1.86 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.125 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . 0.531 HG21 ' HB3' ' A' ' 21' ' ' LYS . 65.9 mt -78.79 110.93 15.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' MET . . . . . 0.435 ' O ' HG22 ' A' ' 19' ' ' THR . 34.6 mmt -59.9 154.7 47.02 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.571 0.7 . . . . 0.0 110.874 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -49.33 0.57 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.666 2.244 . . . . 0.0 112.358 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -43.79 -41.67 5.89 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.496 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.435 HG22 ' O ' ' A' ' 16' ' ' MET . 14.9 t -82.64 154.85 24.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.778 0.323 . . . . 0.0 111.144 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.2 mmt180 -86.88 145.92 26.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.852 -179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.531 ' HB3' HG21 ' A' ' 15' ' ' ILE . 10.5 pttm -134.01 164.21 27.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.946 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' MET . . . . . 0.524 ' HG3' ' CD2' ' A' ' 34' ' ' PHE . 82.4 mmm -108.33 107.17 17.65 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.879 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -88.35 111.79 22.13 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.925 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' TYR . . . . . 0.573 ' CE1' ' HG3' ' A' ' 25' ' ' LYS . 14.0 t80 -137.48 124.01 20.89 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.95 -179.812 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.573 ' HG3' ' CE1' ' A' ' 24' ' ' TYR . 29.6 mtpt 57.02 42.69 25.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.876 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 80.98 -39.14 2.4 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 29' ' ' TRP . 59.0 m -76.6 158.77 30.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 0.0 110.866 -179.742 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.9 m -124.21 160.21 28.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 27' ' ' SER . 13.7 m-90 -144.01 133.64 23.59 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 32' ' ' THR . 15.6 m80 -52.26 140.14 22.26 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.895 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' GLU . . . . . 0.5 ' HG3' HG23 ' A' ' 32' ' ' THR . 9.3 pt-20 -35.53 -32.09 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.846 ' O ' HG23 ' A' ' 35' ' ' ILE . 41.2 p -94.71 -57.68 2.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.158 -179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' CYS . . . . . 0.465 ' HB3' ' CB ' ' A' ' 10' ' ' GLU . 63.7 m -39.95 -24.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' PHE . . . . . 0.524 ' CD2' ' HG3' ' A' ' 22' ' ' MET . 35.7 t80 -80.84 29.13 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.889 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.846 HG23 ' O ' ' A' ' 32' ' ' THR . 2.9 pp -65.94 170.58 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.126 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' CYS . . . . . 0.548 ' O ' HD12 ' A' ' 35' ' ' ILE . 16.9 t -72.98 165.59 24.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.0 m-70 -99.87 -16.86 17.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.857 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 53.8 ttt85 -100.25 -61.07 1.42 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.852 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 24.9 p -84.39 -16.94 40.98 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.82 -179.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLN . . . . . . . . . . . . . 76.8 mm-40 61.76 44.26 8.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.906 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLN . . . . . . . . . . . . . 13.4 mm100 -119.45 146.86 42.1 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.609 0.718 . . . . 0.0 110.911 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 89.26 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.671 2.247 . . . . 0.0 112.317 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ILE . . . . . 0.489 HG21 ' HB3' ' A' ' 48' ' ' PHE . 73.5 mt -49.01 -60.14 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.141 179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLY . . . . . . . . . . . . . . . 91.53 -110.77 3.9 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.44 179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' THR . . . . . . . . . . . . . 40.9 p -130.51 40.11 3.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 0.0 111.157 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' HG2' HG23 ' A' ' 43' ' ' ILE . 0.1 OUTLIER -111.36 161.65 15.86 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 36.6 m -42.38 109.69 0.14 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.818 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.489 ' HB3' HG21 ' A' ' 43' ' ' ILE . 3.6 p90 -148.02 146.61 28.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.901 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ILE . . . . . 0.828 HG21 ' CE2' ' A' ' 61' ' ' TYR . 5.1 mp -100.71 103.54 25.08 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.672 0.749 . . . . 0.0 111.101 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.562 ' HB2' ' CE2' ' A' ' 24' ' ' TYR . 53.8 Cg_endo -69.73 118.36 5.63 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.69 2.26 . . . . 0.0 112.33 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' LYS . . . . . 0.496 ' O ' ' C ' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -87.91 150.89 23.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.867 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.496 ' C ' ' O ' ' A' ' 51' ' ' LYS . 10.9 m-20 -30.45 -70.04 0.06 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.435 ' C ' ' HG3' ' A' ' 54' ' ' GLN . 35.6 t30 -117.37 30.51 7.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.888 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLN . . . . . 0.439 ' C ' ' HB3' ' A' ' 51' ' ' LYS . 37.2 mt-30 -156.39 175.63 13.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.929 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASN . . . . . . . . . . . . . 6.0 m-20 -138.27 130.7 29.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.847 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -139.82 132.13 28.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.866 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.0 m -62.92 -177.81 0.18 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.84 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.683 ' N ' ' HD2' ' A' ' 59' ' ' PRO . 39.8 t -66.29 -49.77 52.56 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.594 0.712 . . . . 0.0 111.107 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.76 -17.42 37.57 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.688 2.259 . . . . 0.0 112.299 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 76.5 m -92.47 -54.5 3.77 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.876 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.828 ' CE2' HG21 ' A' ' 49' ' ' ILE . 39.8 t80 -52.5 -51.34 59.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -47.54 -44.31 25.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.1 mtpm? -57.33 -58.07 9.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLN . . . . . . . . . . . . . 16.3 mm-40 -55.33 -45.57 76.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.898 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' HIS . . . . . . . . . . . . . 3.6 t-80 -54.79 -59.06 5.24 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.796 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ALA . . . . . . . . . . . . . . . -80.08 163.41 24.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.128 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 50.2 m -151.29 132.25 14.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -172.05 -169.01 34.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.523 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 143.36 50.41 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.696 2.264 . . . . 0.0 112.366 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 20.2 m -115.13 125.6 53.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.6 m -91.62 131.74 36.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.284 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.461 -179.994 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_