data_2d9h_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 2d9h _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 N--CA 1.452 -0.286 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.28 148.81 46.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' HG21 ' A' ' 16' ' ' THR . 30.9 tp60 -127.88 126.04 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -78.42 150.34 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.9 -30.85 12.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.527 HG22 ' CG ' ' A' ' 30' ' ' HIS . 39.6 mm -54.6 -69.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.14 -39.81 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.9 31.92 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -80.32 174.45 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.47 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -144.06 132.04 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -141.27 148.78 40.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.4 mpt_? -79.42 -55.54 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -74.35 139.05 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -60.13 -47.35 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.9 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -43.51 -54.43 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.99 -55.69 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -53.46 -52.36 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -83.93 -17.61 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -90.42 -38.33 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -47.43 -34.98 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 6.3 pttt -72.59 -38.1 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CG ' HG22 ' A' ' 12' ' ' ILE . 5.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -118.0 -31.05 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.9 m-85 -99.12 102.02 14.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.83 170.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.0 t -104.71 106.4 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -66.69 -1.52 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.541 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -91.61 -51.66 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -117.93 -36.19 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.79 -8.87 8.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.425 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -51.96 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 40.6 mtt85 -148.91 143.62 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.626 ' CD1' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -132.0 156.0 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -66.24 -17.75 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 2.0 pttm -154.12 162.71 26.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.8 -41.92 3.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.68 -35.45 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -83.32 -29.65 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -72.53 -29.23 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.79 -38.19 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.5 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 6.0 t60 -53.24 -36.52 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 23.9 mtp180 -68.65 -20.35 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -92.4 -4.55 53.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -117.98 -31.25 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.59 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.4 t -110.98 -30.17 7.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.8 m-70 -117.96 32.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.75 -9.01 25.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.15 159.12 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' NE2' HG21 ' A' ' 16' ' ' THR . 26.5 tp60 -142.17 108.71 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 t -59.0 148.34 31.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -99.21 -31.99 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.519 HG22 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -50.85 -63.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.58 -40.47 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 116.99 33.25 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.97 175.08 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -143.91 131.29 20.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -144.91 142.19 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -78.94 -47.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.55 127.87 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.54 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -51.8 -45.05 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' NE2' ' A' ' 27' ' ' GLN . 13.8 tp -55.73 -52.07 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.09 -50.56 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -63.79 -25.46 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -88.36 -18.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.423 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 77.3 mt-30 -87.33 -33.05 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -33.49 75.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -63.93 -24.68 67.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CG ' HG22 ' A' ' 12' ' ' ILE . 29.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.499 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.95 -32.12 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.5 m-85 -98.5 101.98 13.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 171.21 14.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.4 t -106.03 106.24 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.0 -0.77 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 4.0 m-85 -92.31 -52.44 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -117.84 -36.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.65 -8.52 7.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.0 mtpt -52.05 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.464 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 32.7 mtt-85 -147.48 144.48 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.639 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.5 m-85 -133.58 150.3 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.71 -18.11 61.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.536 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -151.33 163.13 24.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.82 -48.57 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.288 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.25 -35.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -80.08 -31.08 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -71.24 -39.9 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.78 -40.68 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.32 -33.11 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.8 mtt180 -74.22 -20.5 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 38.3 t -92.2 -8.22 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.01 -26.83 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.591 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.5 t -111.52 -31.58 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.1 m-70 -117.98 32.12 0.17 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.1 Cg_endo -69.75 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.46 HD12 ' CD ' ' A' ' 20' ' ' LYS . 14.7 mt -72.5 148.41 45.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -136.11 124.17 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -72.09 148.56 45.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 7.2 pt-20 -99.57 -33.12 10.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 30' ' ' HIS . 4.1 mp -48.03 -60.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.39 -37.94 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.14 38.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -88.71 177.01 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.06 133.72 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.21 137.88 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.07 -58.52 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.57 139.34 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.46 ' CD ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.67 -56.89 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.99 -52.73 2.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -49.79 -46.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.04 -55.74 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -47.67 -42.3 24.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -69.32 -27.12 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -85.35 -19.33 31.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -90.49 -40.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.42 -37.55 56.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' HG23 ' A' ' 12' ' ' ILE . 32.8 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.773 0.32 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -117.96 -31.31 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.8 m-85 -97.99 101.97 12.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.66 14.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.8 t -104.81 109.94 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.46 1.37 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -95.9 -57.57 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.61 -33.76 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -8.11 10.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.1 mtpp -52.07 -179.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 73.7 mtp85 -146.12 143.45 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CD1' HG23 ' A' ' 54' ' ' VAL . 4.0 m-85 -131.6 153.83 49.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 37' ' ' LEU . 3.0 pt-20 -61.03 -20.22 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.9 ptmt -155.3 165.08 19.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -42.2 -37.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 m -82.04 -29.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.635 HG23 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -70.5 -33.02 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.43 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.75 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -55.11 -33.88 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' HIS . 20.3 mtp180 -73.69 -19.11 60.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 18.2 t -92.72 -6.84 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -118.02 -31.35 5.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.582 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.9 m -108.25 -31.47 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.76 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.1 m-70 -118.08 33.75 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.76 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.5 Cg_endo -69.72 -16.19 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.46 160.59 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.467 ' NE2' HG21 ' A' ' 16' ' ' THR . 22.8 tp60 -136.9 118.66 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.43 149.05 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -98.48 -29.91 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.12 -68.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.96 -41.13 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.47 29.76 2.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -78.52 175.02 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.467 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -137.63 132.52 33.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' CB ' ' A' ' 22' ' ' SER . 3.4 t -146.48 148.21 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -82.87 -58.01 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.73 144.77 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.3 mmtm -70.18 -57.58 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.61 -42.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.462 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 18.5 m -62.45 -56.53 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -46.67 -48.98 19.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -58.04 -54.37 47.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -62.66 -26.12 68.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.04 -15.75 49.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -91.17 -47.16 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -50.17 -36.77 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -40.2 82.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 49' ' ' GLU . 5.4 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 m-85 -98.56 102.01 13.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.673 0.749 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 170.7 16.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.347 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.5 t -105.65 106.91 17.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -0.6 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -93.23 -52.3 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.98 -35.77 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.65 -7.97 8.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' CYS . 20.3 mtpt -52.16 179.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 68.4 mtm180 -145.91 138.66 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.6 m-85 -126.89 156.18 41.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.468 ' N ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.02 -12.62 61.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 ptpp? -157.14 159.98 30.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.77 -41.23 4.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -45.95 -37.8 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -30.91 41.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.6 t -69.25 -30.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.24 -37.54 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.3 t60 -56.35 -34.07 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' NH2' ' CG1' ' A' ' 54' ' ' VAL . 59.4 mtt180 -72.49 -20.39 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 40.7 t -92.57 -7.13 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -117.99 -26.93 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.61 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.7 m -112.99 -30.39 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.797 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -117.99 30.74 0.15 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -12.41 32.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.4 mt -73.63 164.12 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -145.12 138.73 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -85.88 151.36 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.19 -32.47 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.518 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.8 mp -51.09 -61.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.27 -39.23 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.17 35.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -85.77 -179.82 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.44 135.02 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.5 m -141.63 131.3 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -72.07 -42.74 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.45 125.42 34.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 13.8 tptt -50.01 -58.96 4.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -42.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -59.29 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.37 -59.67 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -52.57 -47.42 66.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -66.54 -26.45 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -80.37 -37.79 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -61.12 -57.7 11.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.64 -37.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -48.31 -44.57 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.518 ' CG ' HG21 ' A' ' 12' ' ' ILE . 84.8 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.522 HD11 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -29.55 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.4 m-85 -99.95 102.0 16.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.1 Cg_endo -69.8 174.27 9.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.309 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -106.11 106.43 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.58 -2.77 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.2 m-85 -91.2 -52.99 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.83 -31.46 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 118.75 -5.03 14.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' CYS . 12.7 mtpp -53.57 -179.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 49.8 mtt-85 -145.68 140.5 27.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.636 ' CD1' HG21 ' A' ' 54' ' ' VAL . 8.0 m-85 -128.7 156.61 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -70.88 -3.31 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 15.7 pttt -167.2 160.3 10.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.11 -35.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -83.5 -29.87 27.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.636 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -70.69 -32.04 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.95 -37.33 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.35 -38.89 55.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.2 t60 -53.07 -37.77 61.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 25.4 mtp180 -67.12 -20.56 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -92.52 -3.73 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -118.05 -30.75 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.618 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.3 m -112.68 -29.01 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.799 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.7 m-70 -117.99 30.28 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.799 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.72 -10.49 28.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.24 155.66 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.48 ' NE2' HG22 ' A' ' 16' ' ' THR . 28.2 tp60 -128.27 116.19 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' SG ' ' HB ' ' A' ' 12' ' ' ILE . 42.6 t -62.93 116.08 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.04 8.25 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 36.6 mm -95.51 -53.36 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.63 -37.96 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.21 16.94 4.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.17 177.81 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.48 HG22 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -142.82 139.0 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.19 122.44 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 18' ' ' ARG . 23.4 mtt-85 -61.85 -46.74 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -73.17 137.5 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -70.95 -57.73 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.04 -42.35 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -57.77 -49.0 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.25 -54.7 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.07 -42.07 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 25' ' ' TRP . 4.8 t-105 -68.24 -27.11 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.78 -15.76 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.65 -36.13 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -55.47 -33.51 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 14.2 pttt -69.19 -35.35 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.1 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.49 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.45 -31.7 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.9 m-85 -99.47 102.1 15.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 171.57 14.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 14.7 t -105.95 105.66 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.4 -1.93 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.548 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.7 m-85 -90.7 -52.06 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.01 -36.12 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.55 -9.41 7.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.1 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 80.7 mtt85 -147.66 144.56 28.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.621 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.6 m-85 -132.69 152.81 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.463 ' N ' HD11 ' A' ' 37' ' ' LEU . 1.4 pt-20 -63.35 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -153.59 162.8 25.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.841 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -44.98 -39.3 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -79.34 -28.18 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.621 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.9 t -73.1 -34.98 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.43 -38.21 71.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.63 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.8 t60 -55.29 -34.51 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.3 mtt180 -72.11 -20.86 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -92.18 -6.72 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -117.95 -25.18 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.59 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -115.76 -31.21 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.786 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.93 32.32 0.17 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.718 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.77 -15.54 37.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.27 151.9 39.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.452 ' NE2' HG21 ' A' ' 16' ' ' THR . 24.1 tp60 -133.43 116.83 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.1 t -71.89 149.54 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.4 -31.93 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG2' ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -51.7 -62.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.29 -38.01 6.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.86 30.83 2.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -83.56 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.452 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.5 p -136.48 130.6 32.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -139.93 135.37 32.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -45.65 52.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.55 141.31 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -72.76 -52.26 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.67 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -61.37 -54.31 45.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -45.83 -50.86 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.09 -54.26 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.0 t-105 -63.64 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -82.64 -19.93 37.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -89.99 -37.86 14.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.86 -33.11 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -63.74 -38.49 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CG ' ' CG2' ' A' ' 12' ' ' ILE . 34.0 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -117.91 -30.02 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.6 m-85 -99.49 101.99 15.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.71 171.09 15.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.9 t -104.95 107.75 18.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -67.01 -0.84 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.48 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 5.6 m-85 -92.87 -51.71 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.91 -35.46 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.44 -8.38 8.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 41' ' ' CYS . 15.3 mtpp -51.99 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 47.9 mtt-85 -147.38 143.41 27.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG21 ' A' ' 54' ' ' VAL . 2.4 m-85 -131.75 154.2 49.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.3 pt-20 -62.33 -18.98 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.6 ptpt -155.42 163.94 22.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.78 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.21 -37.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m -82.15 -30.18 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.634 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -70.92 -26.54 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.44 -38.4 49.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.89 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.11 -36.37 63.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' HIS . 10.5 mtp-105 -70.61 -20.31 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -93.51 -4.72 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.87 -33.33 4.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.588 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 3.6 m -107.88 -29.31 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.79 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.2 m-70 -118.01 31.87 0.17 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.79 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.75 -7.93 22.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 142.37 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -133.51 127.74 33.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -77.1 150.27 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -100.37 -32.56 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.506 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 mp -48.64 -59.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -110.57 -38.03 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 112.57 41.34 1.04 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -90.57 174.97 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.89 131.83 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -151.71 123.89 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -61.47 -44.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -71.95 119.62 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.0 -51.14 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.88 -49.72 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 m -52.46 -45.13 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.03 -59.96 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -47.21 -55.55 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -58.42 -25.59 62.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.42 -22.12 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -88.09 -41.3 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -46.5 -39.02 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 15.6 pttt -69.52 -38.28 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CG ' HG21 ' A' ' 12' ' ' ILE . 6.7 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 49' ' ' GLU . 8.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -118.01 -30.57 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.2 m-85 -98.19 101.99 12.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.53 12.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.6 t -107.26 105.76 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -65.88 -2.2 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.7 m-85 -91.11 -51.92 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.87 -36.05 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.06 -9.75 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.71 -179.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.57 143.82 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CD1' HG21 ' A' ' 54' ' ' VAL . 4.5 m-85 -132.11 146.24 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.465 ' N ' HD22 ' A' ' 37' ' ' LEU . 1.3 pt-20 -54.86 -21.17 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -152.19 163.17 24.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.584 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -43.61 2.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -41.72 -39.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -79.97 -27.39 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 48' ' ' PHE . 1.6 t -71.55 -32.49 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.78 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.48 -39.3 64.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -56.5 -34.38 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 38.5 mtt180 -73.33 -19.13 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 75.2 m -92.6 -7.54 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -118.02 -29.05 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.587 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 3.1 m -110.24 -31.35 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.77 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.99 33.03 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.77 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 9.5 mt -80.65 148.69 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -122.54 120.83 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.35 152.38 43.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.27 -32.84 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -55.62 -68.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.7 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.41 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.31 172.35 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.45 130.63 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -143.22 132.95 23.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.37 69.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 156.36 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -79.7 -52.04 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.25 -54.16 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 p -43.56 -48.77 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.24 -52.77 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -55.29 -46.93 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 1.2 t-105 -67.88 -32.25 72.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.458 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.8 t60 -81.75 -17.99 45.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -88.64 -36.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -59.65 -30.94 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HE3' ' ND1' ' A' ' 26' ' ' HIS . 13.0 pttp -73.43 -35.37 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 12' ' ' ILE . 3.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 49' ' ' GLU . 3.8 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.98 -28.73 5.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.0 m-85 -97.78 101.98 12.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.76 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.4 t -105.88 106.86 17.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.91 -2.07 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.502 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 11.7 m-85 -91.8 -53.1 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.01 -31.91 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 120.16 -6.09 12.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' CYS . 6.0 mtpm? -52.12 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 41.1 mtt180 -145.34 139.1 26.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.628 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.3 m-85 -129.35 147.99 51.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -57.49 -18.89 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.9 ptpt -155.19 163.58 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -42.85 3.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.55 -37.77 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -81.03 -27.34 35.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.628 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -73.02 -28.53 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.68 58.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.0 -37.67 58.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.51 -34.83 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 62' ' ' HIS . 35.8 mtp180 -70.4 -19.86 62.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.0 t -92.84 -5.91 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.05 -28.47 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.589 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -112.77 -30.24 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.5 m-70 -118.08 31.72 0.17 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.82 -12.57 33.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 27.0 mt -75.86 160.92 29.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.828 0.346 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' NE2' HG21 ' A' ' 16' ' ' THR . 26.4 tp60 -141.56 113.89 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -71.13 149.77 46.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.75 -30.6 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.514 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.7 mp -51.51 -60.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -111.24 -38.01 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.44 37.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -84.53 175.09 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.3 p -144.82 132.0 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -140.73 146.6 37.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 2.1 mpt_? -83.07 -44.87 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -87.02 124.88 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 14.2 tptm -49.21 -51.12 34.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.31 -51.13 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -46.13 -45.05 16.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 tp -54.74 -55.54 28.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -47.82 -48.71 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 3.7 t-105 -67.12 -26.42 66.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.08 -42.11 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -50.47 -35.94 31.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.05 -41.32 95.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' HG21 ' A' ' 12' ' ' ILE . 20.7 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 49' ' ' GLU . 10.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.64 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.04 -22.31 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 62.9 m-85 -100.21 101.26 13.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.72 166.18 28.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.4 t -101.35 108.52 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.95 0.83 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.533 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 10.3 m-85 -96.16 -59.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.6 -31.43 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.62 -5.23 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' CYS . 29.5 mttp -52.12 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.636 ' CD1' HG22 ' A' ' 54' ' ' VAL . 4.6 m-85 -127.34 156.44 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.479 ' N ' HD23 ' A' ' 37' ' ' LEU . 1.7 pt-20 -68.09 -13.66 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 9.0 ptpt -158.55 161.94 27.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.609 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 54.5 Cg_endo -69.72 -41.02 4.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -35.78 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 m -83.28 -30.8 27.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.636 HG22 ' CD1' ' A' ' 48' ' ' PHE . 2.1 t -69.88 -28.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.17 -40.13 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.19 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -58.66 -32.7 69.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 62' ' ' HIS . 32.5 mtp180 -72.82 -20.34 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 9.3 t -92.82 -6.07 49.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -117.98 -30.56 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.59 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 3.8 m -109.92 -31.23 7.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.757 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -117.93 32.94 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.757 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -12.7 33.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.1 mt -72.06 154.16 41.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.711 0.291 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.489 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 29.1 tp60 -135.7 114.8 12.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.3 t -69.68 147.41 50.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.83 -29.16 12.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.401 ' CG2' ' CG ' ' A' ' 30' ' ' HIS . 4.2 mp -52.98 -58.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.98 -37.96 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.33 35.28 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -88.71 177.05 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.489 ' CG2' ' OE1' ' A' ' 9' ' ' GLN . 1.8 p -141.28 133.9 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.97 141.37 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.75 -48.86 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.54 122.83 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -54.64 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.76 -45.3 58.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 m -53.48 -51.03 64.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.0 tp -47.23 -59.1 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -45.62 -56.42 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -55.82 -27.96 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.49 -16.22 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.69 -46.58 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -45.81 -37.64 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -41.03 89.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CG ' ' CG2' ' A' ' 12' ' ' ILE . 31.5 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -117.98 -23.97 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -111.87 102.03 52.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.86 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.3 t -103.08 106.16 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 0.03 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.4 m-85 -93.09 -53.66 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.0 -32.26 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.33 -2.77 10.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.494 ' HD2' ' CE1' ' A' ' 57' ' ' HIS . 13.6 mttm -51.97 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 59.4 mtm180 -150.8 138.67 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.627 ' CD1' HG23 ' A' ' 54' ' ' VAL . 13.6 m-85 -135.38 148.89 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.39 0.75 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 ptpp? -161.86 155.06 17.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 -42.66 3.18 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.78 -37.92 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.449 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 4.0 m -80.45 -30.5 37.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.627 HG23 ' CD1' ' A' ' 48' ' ' PHE . 1.7 t -70.76 -31.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.16 -36.23 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.41 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.494 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 5.8 t60 -55.74 -38.14 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 40.7 mtp180 -66.67 -20.16 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 20.7 t -92.45 -4.24 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -117.93 -31.4 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 t -111.5 -28.89 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.808 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.96 29.86 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -8.09 22.71 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -71.12 158.71 35.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -143.42 118.89 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -64.18 150.54 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -99.34 -35.09 10.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 30' ' ' HIS . 4.3 mp -48.6 -65.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.25 -41.05 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.07 32.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.542 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.73 176.98 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -145.22 134.04 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.6 m -138.06 122.08 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -54.83 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.36 158.47 35.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -76.49 -59.98 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.75 -48.05 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 p -42.39 -57.7 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.41 -46.58 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -66.15 -22.78 66.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' ND1' ' CD ' ' A' ' 29' ' ' LYS . 1.8 t60 -90.21 -37.65 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -54.0 -17.19 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -77.74 -28.73 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.57 ' CD ' ' ND1' ' A' ' 26' ' ' HIS . 3.5 mtpm? -47.69 -53.95 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' HG23 ' A' ' 12' ' ' ILE . 30.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 49' ' ' GLU . 5.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.777 0.323 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.97 -28.96 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.5 m-85 -99.22 101.96 14.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.7 Cg_endo -69.71 175.8 7.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -108.12 105.69 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.67 -1.53 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.9 m-85 -92.24 -53.02 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -118.0 -31.35 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 119.86 -7.27 12.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' CYS . 13.8 mtpt -52.32 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 81.5 mtt-85 -146.77 140.21 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.604 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.2 m-85 -128.51 152.38 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 37' ' ' LEU . 1.1 pt-20 -65.37 -10.85 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -159.13 161.41 27.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.75 -43.93 2.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.406 ' CB ' ' HZ1' ' A' ' 50' ' ' LYS . 6.7 t70 -42.93 -39.07 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -79.32 -29.06 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.604 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -71.65 -32.92 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.39 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.5 t60 -57.08 -35.17 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 53.8 mtt180 -72.9 -19.46 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 7.8 t -92.63 -7.67 46.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.99 -27.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.594 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.6 m -112.4 -30.57 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.787 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -118.06 31.85 0.17 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.76 -14.05 35.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.1 mt -71.3 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -156.57 128.51 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.1 151.47 40.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -98.33 -32.37 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 30' ' ' HIS . 4.4 mp -53.59 -68.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.3 p -97.94 -44.08 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.86 35.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.87 173.66 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.23 132.68 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.63 138.65 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -69.6 -55.76 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -69.35 121.81 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 5.7 tptp -58.89 -66.68 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -33.1 -38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LYS . 35.4 m -74.29 -48.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -66.31 -55.32 16.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . 0.495 ' N ' HD12 ' A' ' 23' ' ' LEU . 27.2 m-20 -47.72 -48.35 29.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 t-105 -59.08 -29.46 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -74.49 -51.67 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.55 ' CG ' HD23 ' A' ' 23' ' ' LEU . 6.7 mt-30 -45.82 -37.88 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 1.1 ptm180 -77.3 -24.64 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 3.8 ptpt -54.08 -29.66 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.56 ' CE1' HG22 ' A' ' 12' ' ' ILE . 94.0 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.0 -29.62 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 6.2 m-85 -98.79 101.96 13.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 170.43 16.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 10.6 t -105.96 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -67.6 -0.34 3.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.6 m-85 -92.51 -54.36 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.44 -32.25 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.9 -7.18 10.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mtpp -52.13 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 30.0 mtp180 -148.22 144.4 27.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.8 m-85 -132.55 158.47 42.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 37' ' ' LEU . 1.5 pt-20 -69.02 -18.98 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 4.7 ptpt -152.59 163.52 23.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.585 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.8 -39.58 6.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -35.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -82.24 -29.5 31.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.615 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -73.29 -33.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.58 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.84 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 7.3 t60 -54.58 -33.34 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 22.9 mtp180 -73.13 -20.34 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -92.49 -9.49 41.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -118.01 -22.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.579 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.3 t -115.04 -33.38 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.747 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.5 m-70 -118.04 34.28 0.2 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.85 -12.26 32.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 14.5 mt -81.07 138.22 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.732 0.301 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 14' ' ' GLY . 23.4 tp60 -113.73 130.11 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.72 151.66 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -98.62 -33.05 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.506 HG22 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -56.19 -70.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -97.96 -44.71 6.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 118.91 25.85 2.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.48 174.39 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.04 131.62 44.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.9 m -142.33 129.77 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.99 -64.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.15 134.38 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 19.8 tptm -54.74 -51.98 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.18 -59.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 m -49.08 -54.03 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 tp -52.97 -51.08 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.63 -51.34 65.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -64.85 -24.87 67.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -84.11 -15.29 47.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.38 -54.85 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -47.11 -33.86 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -38.34 90.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CG ' HG22 ' A' ' 12' ' ' ILE . 32.0 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -117.94 -29.27 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' HG3' ' A' ' 38' ' ' ARG . 59.2 m-85 -98.2 102.01 12.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 170.06 17.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 13.3 t -105.01 110.36 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -69.78 1.8 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 21.6 m-85 -94.89 -52.78 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 -36.35 3.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.29 -8.04 7.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.3 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 43.7 mtt180 -148.45 145.28 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CD1' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -134.06 153.48 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.2 pt-20 -62.8 -19.5 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 2.6 pttt -153.6 164.26 21.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.79 -45.95 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -40.33 -38.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.5 m -80.68 -32.61 35.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.615 HG23 ' CD1' ' A' ' 48' ' ' PHE . 1.6 t -68.15 -31.19 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.47 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -35.83 62.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 4.8 t60 -57.67 -34.43 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' CE1' ' A' ' 43' ' ' PHE . 48.0 mtp180 -67.55 -22.14 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -93.35 -4.45 51.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -117.01 -28.92 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -114.58 -28.02 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.8 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -118.01 29.81 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.8 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.74 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -70.83 155.23 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.46 ' NE2' HG22 ' A' ' 16' ' ' THR . 28.7 tp60 -137.97 109.38 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 4.2 t -63.71 149.29 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -99.71 -33.71 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.536 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -51.33 -61.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -105.53 -42.23 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 115.45 32.01 1.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -83.26 175.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.46 HG22 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -139.91 134.51 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.98 132.15 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -67.48 -57.64 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -72.62 124.01 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.6 tptm -59.12 -52.78 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.0 -58.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.1 m -55.21 -47.7 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -51.65 -46.69 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -55.01 -57.24 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -57.98 -26.63 62.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -78.82 -14.92 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' HIS . 57.0 mt-30 -92.87 -46.29 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -41.76 -38.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -38.87 92.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.646 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.06 -26.49 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 61.5 m-85 -97.1 102.0 11.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.78 169.99 17.65 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.0 t -107.49 109.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.8 tp10 -64.47 -15.93 61.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.555 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 12.6 m-85 -77.02 -57.52 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.7 -35.78 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 122.02 -6.0 10.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 19.1 mtpp -52.04 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 80.0 mtt180 -144.39 140.36 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CD1' HG21 ' A' ' 54' ' ' VAL . 7.3 m-85 -129.43 157.67 41.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.489 ' N ' HD13 ' A' ' 37' ' ' LEU . 1.9 pt-20 -69.05 -12.15 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.7 pttm -161.04 162.7 21.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.611 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 -42.33 3.5 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.85 -34.05 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -84.95 -29.62 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -71.04 -28.66 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.81 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.0 -39.23 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.1 t60 -52.14 -37.56 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.2 mtp180 -68.05 -18.96 64.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -92.51 -4.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -118.0 -33.63 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.7 m -109.35 -27.97 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.806 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.3 m-70 -118.0 29.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.806 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.78 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.083 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.457 ' NE2' HG23 ' A' ' 16' ' ' THR . 25.8 tp60 -122.17 121.51 37.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.01 148.38 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -98.28 -31.21 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.82 -70.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.58 -42.63 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.23 24.75 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.21 175.98 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.457 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -139.83 133.82 30.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.95 137.59 22.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -70.37 -55.38 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.41 152.25 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -74.98 -51.08 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.43 -50.84 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -62.21 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.9 -42.91 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.5 -58.19 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -55.45 -23.36 25.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 4.8 t60 -82.97 -18.17 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.41 -46.14 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -43.1 -39.47 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -60.39 -38.71 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.93 -24.79 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 60.7 m-85 -98.44 101.96 13.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.698 0.761 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.63 23.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 12.9 t -104.03 108.16 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.77 -1.1 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 19.1 m-85 -93.03 -56.26 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.34 -30.82 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.97 -6.29 15.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -52.03 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 28.4 mtt-85 -145.83 137.87 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG21 ' A' ' 54' ' ' VAL . 6.7 m-85 -126.77 158.05 37.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.4 pt-20 -71.15 -9.01 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.8 pttm -163.33 162.48 17.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.615 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.79 -44.53 2.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -42.84 -34.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -84.01 -31.79 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.634 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.1 t -69.95 -29.22 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.24 54.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.21 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 3.2 t60 -54.15 -35.26 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' HIS . 12.2 mtp-105 -68.12 -21.33 64.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.9 t -92.97 -5.3 51.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -117.99 -26.21 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 t -116.36 -29.1 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.99 29.16 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.2 mt -70.89 146.03 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -132.77 130.74 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -78.27 152.47 32.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.75 -34.87 9.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 30' ' ' HIS . 4.0 mp -48.03 -61.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.48 -38.74 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.93 38.8 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -89.79 177.37 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.26 132.65 20.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.23 145.58 39.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -75.28 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -73.81 133.95 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 10.6 tttm -61.47 -54.55 41.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.89 -52.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -49.89 -44.46 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.19 -46.12 86.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.44 -53.92 47.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.5 t-105 -53.4 -28.24 28.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 8.9 t60 -85.34 -15.45 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -91.85 -40.11 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 23.7 ptt85 -50.73 -35.3 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 pttm -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 12' ' ' ILE . 4.2 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.521 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -117.08 -31.61 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.2 m-85 -98.09 102.02 12.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 172.67 12.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -105.65 107.18 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.06 0.02 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -92.97 -52.83 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.04 -37.41 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 128.85 -9.04 6.4 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' CYS . 34.5 mtpt -52.09 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 58.3 mtp85 -149.06 149.37 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.651 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.1 m-85 -138.3 152.98 49.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.485 ' N ' HD11 ' A' ' 37' ' ' LEU . 1.6 pt-20 -60.72 -25.67 66.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -146.62 163.82 27.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 -43.49 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -43.51 -37.19 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.6 m -81.62 -29.24 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.651 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.5 t -70.79 -35.6 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.17 70.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.16 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -58.15 -34.5 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 41.3 mtt180 -75.65 -18.83 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 34.8 t -93.09 -11.81 32.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -117.96 -23.26 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.64 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -112.48 -29.92 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.826 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.1 m-70 -118.02 28.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.848 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.26 146.45 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -136.45 117.6 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.8 t -68.8 148.36 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.76 -32.71 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.517 HG23 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -48.71 -60.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -107.25 -37.68 6.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.27 37.38 1.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -91.38 174.82 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.55 132.25 25.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 p -138.39 156.54 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -90.99 -55.83 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -77.96 126.89 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.27 -48.38 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.92 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -43.83 -44.33 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' NE2' ' A' ' 27' ' ' GLN . 8.4 tp -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.86 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -73.82 -24.25 59.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.411 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.0 t60 -88.18 -22.67 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . 0.468 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 61.1 mt-30 -90.55 -41.6 11.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 36.4 ptt85 -40.56 -36.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -71.32 -39.05 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CG ' HG23 ' A' ' 12' ' ' ILE . 18.5 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 49' ' ' GLU . 6.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.611 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.89 -20.75 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 51.5 m-85 -101.62 100.08 13.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.79 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 42.8 t -101.83 110.25 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.8 0.61 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 2.3 m-85 -95.36 -53.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -116.98 -34.72 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.08 -6.61 9.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 40.6 mtpt -51.98 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -145.01 138.41 26.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG23 ' A' ' 54' ' ' VAL . 3.1 m-85 -127.55 147.86 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -61.43 -10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.6 pttp -161.65 161.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.608 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.72 -42.62 3.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -43.18 -36.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -82.42 -29.63 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 48' ' ' PHE . 2.1 t -71.87 -27.08 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.17 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.95 59.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.7 t60 -56.53 -38.82 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 15.0 mtm180 -71.49 -20.47 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 6.1 t -92.44 -7.37 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -117.97 -27.41 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.601 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.5 m -112.71 -30.33 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.791 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.98 30.84 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -71.02 164.68 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.474 ' NE2' HG21 ' A' ' 16' ' ' THR . 22.1 tp60 -145.06 110.29 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.7 t -64.96 150.04 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.61 -30.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.524 HG23 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mp -55.38 -65.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.17 -37.99 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.54 28.0 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.67 175.29 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.474 HG21 ' NE2' ' A' ' 9' ' ' GLN . 2.1 p -142.48 133.97 26.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -150.89 143.51 24.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -79.44 -51.57 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.33 127.42 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.7 mmtt -63.14 -59.06 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -37.64 -47.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 m -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.23 -52.32 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -55.01 -37.77 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -71.45 -26.7 62.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -88.91 -15.75 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.5 -45.14 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -48.46 -32.03 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.34 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CG ' HG23 ' A' ' 12' ' ' ILE . 12.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.02 -24.57 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 66.5 m-85 -99.4 101.99 14.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.1 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -104.51 110.62 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.22 2.41 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.51 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 3.4 m-85 -97.96 -52.9 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.84 -29.16 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.53 -4.2 19.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.521 ' NZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.8 mtpm? -52.01 -178.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 50.6 mtt-85 -147.34 138.75 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.8 m-85 -129.43 160.85 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.457 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -74.2 -11.91 60.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.55 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.2 ptpt -157.76 162.52 27.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.606 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.72 -40.42 5.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -37.46 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -79.37 -29.59 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.616 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.9 t -72.54 -36.33 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -37.32 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.55 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 3.4 t60 -55.69 -35.74 66.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.1 mtt180 -67.59 -22.56 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 52.6 m -93.15 -4.89 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -118.05 -24.54 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.631 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -118.03 -29.55 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.2 m-70 -118.0 29.35 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.74 -7.11 20.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.0 mt -81.07 155.87 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . 0.474 ' NE2' HG22 ' A' ' 16' ' ' THR . 30.5 tp60 -133.86 113.87 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -67.64 150.06 49.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -100.03 -35.06 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 30' ' ' HIS . 4.3 mp -46.58 -62.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 p -110.52 -38.04 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 32.22 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.76 175.94 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' THR . . . . . 0.474 HG22 ' NE2' ' A' ' 9' ' ' GLN . 1.4 p -146.52 134.15 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -130.55 169.19 15.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -97.93 -53.8 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -89.73 140.54 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.36 -54.68 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.06 -48.18 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -43.71 -62.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' HIS . 14.3 tp -42.97 -62.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -44.26 -42.91 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -62.46 -30.63 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.7 t60 -85.03 -48.75 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.34 -48.92 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -43.56 -33.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -61.07 -40.76 94.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 12' ' ' ILE . 57.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 ' N ' ' A' ' 49' ' ' GLU . 10.7 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ARG . . . . . 0.608 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.69 -22.1 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PHE . . . . . 0.608 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 42.1 m-85 -100.74 102.01 17.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.663 0.744 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.0 Cg_endo -69.78 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 28.2 t -102.69 107.71 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.88 -0.97 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.6 m-85 -92.86 -52.67 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.88 -36.3 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.2 -6.14 8.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 21.6 mtpt -52.06 -179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -145.92 130.79 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG22 ' A' ' 54' ' ' VAL . 3.2 m-85 -120.15 155.55 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' GLU . . . . . 0.492 ' N ' HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -67.26 -20.82 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -149.03 161.24 33.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.53 0.681 . . . . 0.0 110.917 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' PRO . . . . . 0.567 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.81 -42.84 3.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.88 -36.81 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 m -80.31 -29.08 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.634 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -70.89 -32.8 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.11 -40.14 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.77 -38.97 73.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.7 t60 -57.89 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 37.7 mtt180 -73.76 -20.42 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 5.1 t -92.91 -5.38 50.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 63' ' ' PRO . 11.1 pttm -117.98 -35.11 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -105.69 -27.77 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.816 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -118.0 29.41 0.13 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.713 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.79 -12.76 33.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.835 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -91.5 122.57 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -89.76 144.92 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.15 -111.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -78.97 138.14 37.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -86.66 -57.99 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.82 154.31 23.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.28 148.81 46.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' NE2' HG21 ' A' ' 16' ' ' THR . 30.9 tp60 -127.88 126.04 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -78.42 150.34 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.9 -30.85 12.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.527 HG22 ' CG ' ' A' ' 30' ' ' HIS . 39.6 mm -54.6 -69.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.14 -39.81 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.9 31.92 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -80.32 174.45 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.47 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -144.06 132.04 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -141.27 148.78 40.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.466 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.4 mpt_? -79.42 -55.54 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -74.35 139.05 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -60.13 -47.35 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.9 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -43.51 -54.43 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.99 -55.69 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -53.46 -52.36 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -83.93 -17.61 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -90.42 -38.33 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -47.43 -34.98 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 6.3 pttt -72.59 -38.1 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.527 ' CG ' HG22 ' A' ' 12' ' ' ILE . 5.2 m-70 -53.88 -39.75 66.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.47 -37.54 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HG3' ' N ' ' A' ' 33' ' ' THR . 3.5 pt-20 -88.28 -32.32 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.476 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 24.9 m -66.18 -38.37 87.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.3 m -39.8 -35.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.2 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -43.43 -63.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.475 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -52.59 125.09 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.2 mpt_? -118.0 -31.05 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.569 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.9 m-85 -99.12 102.02 14.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.83 170.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.465 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.0 t -104.71 106.4 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 4.2 pm0 -66.69 -1.52 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.541 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -91.61 -51.66 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -117.93 -36.19 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.79 -8.87 8.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.425 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -51.96 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.448 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 40.6 mtt85 -148.91 143.62 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.626 ' CD1' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -132.0 156.0 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.464 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -66.24 -17.75 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.541 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 2.0 pttm -154.12 162.71 26.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.569 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.8 -41.92 3.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.68 -35.45 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -83.32 -29.65 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.626 HG23 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -72.53 -29.23 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.79 -38.19 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.5 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.433 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 6.0 t60 -53.24 -36.52 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 23.9 mtp180 -68.65 -20.35 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -92.4 -4.55 53.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -117.98 -31.25 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.59 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.4 t -110.98 -30.17 7.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.8 m-70 -117.96 32.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.75 -9.01 25.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.2 -11.54 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.2 mt -95.16 -46.52 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 5.8 mt -48.14 -50.02 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.4 162.88 3.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.66 129.91 87.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 111.088 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.74 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.7 pm0 -56.22 175.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.461 ' HG2' ' N ' ' A' ' 72' ' ' SER . 4.4 pm0 -42.63 -41.43 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.461 ' N ' ' HG2' ' A' ' 71' ' ' GLU . 72.5 m -67.13 107.65 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -61.03 175.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -155.64 159.32 29.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.45 2.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 p -103.0 132.75 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -112.97 120.61 41.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.451 -179.983 . . . . . . . . 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 -0.348 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -74.43 -44.02 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 52.05 39.55 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.35 50.77 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -140.2 113.1 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -125.69 125.32 42.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.83 146.68 14.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.15 159.12 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.871 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' NE2' HG21 ' A' ' 16' ' ' THR . 26.5 tp60 -142.17 108.71 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.408 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 t -59.0 148.34 31.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -99.21 -31.99 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.519 HG22 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -50.85 -63.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.58 -40.47 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 116.99 33.25 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.97 175.08 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -143.91 131.29 20.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -144.91 142.19 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -78.94 -47.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.55 127.87 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.54 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -51.8 -45.05 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.423 ' HG ' ' NE2' ' A' ' 27' ' ' GLN . 13.8 tp -55.73 -52.07 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.09 -50.56 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 64.3 t-105 -63.79 -25.46 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -88.36 -18.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.423 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 77.3 mt-30 -87.33 -33.05 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -64.29 -33.49 75.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 5.0 pttp -63.93 -24.68 67.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.519 ' CG ' HG22 ' A' ' 12' ' ' ILE . 29.9 m-70 -70.25 -23.85 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -75.3 -30.1 60.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.8 pt-20 -88.62 -33.92 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.48 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 1.3 t -63.37 -31.69 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 34.0 m -45.86 -36.05 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.12 -52.55 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -57.38 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.499 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -53.25 129.06 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.3 mpt_? -117.95 -32.12 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.562 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.5 m-85 -98.5 101.98 13.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.69 171.21 14.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.4 t -106.03 106.24 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.0 -0.77 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 4.0 m-85 -92.31 -52.44 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -117.84 -36.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.65 -8.52 7.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.0 mtpt -52.05 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.464 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 32.7 mtt-85 -147.48 144.48 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.5 m-85 -133.58 150.3 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.71 -18.11 61.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.536 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -151.33 163.13 24.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.82 -48.57 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.288 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.25 -35.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -80.08 -31.08 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.639 HG22 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -71.24 -39.9 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.78 -40.68 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.32 -33.11 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.8 mtt180 -74.22 -20.5 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.438 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 38.3 t -92.2 -8.22 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.01 -26.83 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.591 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.5 t -111.52 -31.58 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.1 m-70 -117.98 32.12 0.17 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.1 Cg_endo -69.75 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.79 -10.82 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.94 -52.92 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mt -42.28 -51.18 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.73 175.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.72 118.66 40.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.26 20.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -82.45 -48.15 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.95 151.6 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 t -66.22 122.47 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -136.0 136.62 40.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.34 156.74 48.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -34.11 15.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -138.34 158.81 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.6 t -91.65 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.448 -179.963 . . . . . . . . 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 1.452 -0.296 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -57.1 137.18 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -125.59 114.94 19.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.39 -48.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -91.96 116.52 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -64.0 127.91 33.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.37 135.55 27.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.46 HD12 ' CD ' ' A' ' 20' ' ' LYS . 14.7 mt -72.5 148.41 45.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -136.11 124.17 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.426 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -72.09 148.56 45.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . 0.421 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 7.2 pt-20 -99.57 -33.12 10.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.565 HG23 ' CE1' ' A' ' 30' ' ' HIS . 4.1 mp -48.03 -60.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.39 -37.94 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.14 38.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -88.71 177.01 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.06 133.72 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.21 137.88 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.07 -58.52 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.57 139.34 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.46 ' CD ' HD12 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.67 -56.89 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.99 -52.73 2.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -49.79 -46.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.04 -55.74 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -47.67 -42.3 24.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -69.32 -27.12 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -85.35 -19.33 31.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.0 mm-40 -90.49 -40.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.42 -37.55 56.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.565 ' CE1' HG23 ' A' ' 12' ' ' ILE . 32.8 m-70 -52.88 -44.58 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.36 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -95.2 -42.73 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -57.86 -42.35 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.412 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.9 m -37.82 -34.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.39 -42.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -50.27 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.493 HD13 ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -52.83 125.82 18.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -117.96 -31.31 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.572 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.8 m-85 -97.99 101.97 12.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 171.66 14.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.488 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.8 t -104.81 109.94 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.46 1.37 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.557 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -95.9 -57.57 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.61 -33.76 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 121.26 -8.11 10.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.1 mtpp -52.07 -179.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 73.7 mtp85 -146.12 143.45 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.635 ' CD1' HG23 ' A' ' 54' ' ' VAL . 4.0 m-85 -131.6 153.83 49.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.493 ' N ' HD13 ' A' ' 37' ' ' LEU . 3.0 pt-20 -61.03 -20.22 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.9 ptmt -155.3 165.08 19.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.572 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -42.2 -37.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 m -82.04 -29.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.635 HG23 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -70.5 -33.02 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.43 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.75 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -55.11 -33.88 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' HIS . 20.3 mtp180 -73.69 -19.11 60.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.411 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 18.2 t -92.72 -6.84 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -118.02 -31.35 5.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.582 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.9 m -108.25 -31.47 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.76 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.1 m-70 -118.08 33.75 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.76 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.5 Cg_endo -69.72 -16.19 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 -11.95 34.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.5 mt -96.43 -52.84 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 16.0 mt -40.75 -50.91 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.36 174.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.68 124.72 89.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -109.41 111.01 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -143.54 125.77 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.3 t -49.49 -46.62 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.1 p -163.13 153.77 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.1 121.15 5.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 179.84 3.45 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.1 p -149.69 170.38 18.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.8 p -94.66 -43.62 8.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.464 -179.975 . . . . . . . . 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 -0.344 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 p -113.23 162.4 16.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -145.68 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.56 141.16 3.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -63.4 130.2 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -69.93 -47.98 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.79 156.5 11.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.46 160.59 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.467 ' NE2' HG21 ' A' ' 16' ' ' THR . 22.8 tp60 -136.9 118.66 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.43 149.05 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -98.48 -29.91 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 40.9 mm -56.12 -68.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.96 -41.13 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.47 29.76 2.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -78.52 175.02 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.467 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -137.63 132.52 33.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' CB ' ' A' ' 22' ' ' SER . 3.4 t -146.48 148.21 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -82.87 -58.01 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.73 144.77 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.3 mmtm -70.18 -57.58 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.61 -42.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.462 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 18.5 m -62.45 -56.53 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -46.67 -48.98 19.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -58.04 -54.37 47.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -62.66 -26.12 68.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.04 -15.75 49.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -91.17 -47.16 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -50.17 -36.77 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -40.2 82.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 35.4 m-70 -51.34 -45.8 62.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.16 -27.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -95.39 -38.99 10.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.6 m -61.77 -36.42 81.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.439 ' C ' ' O ' ' A' ' 33' ' ' THR . 35.4 m -34.13 -36.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -56.15 -50.29 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -49.42 -40.14 35.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD23 ' N ' ' A' ' 49' ' ' GLU . 5.4 mt -68.29 114.6 6.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.582 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 m-85 -98.56 102.01 13.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.673 0.749 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 170.7 16.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.347 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.5 t -105.65 106.91 17.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -0.6 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.556 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -93.23 -52.3 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.98 -35.77 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.65 -7.97 8.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' CYS . 20.3 mtpt -52.16 179.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.4 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 68.4 mtm180 -145.91 138.66 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.618 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.6 m-85 -126.89 156.18 41.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.468 ' N ' HD23 ' A' ' 37' ' ' LEU . 0.8 OUTLIER -69.02 -12.62 61.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 ptpp? -157.14 159.98 30.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.521 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.77 -41.23 4.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -45.95 -37.8 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -30.91 41.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.618 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.6 t -69.25 -30.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.24 -37.54 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.48 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.3 t60 -56.35 -34.07 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' NH2' ' CG1' ' A' ' 54' ' ' VAL . 59.4 mtt180 -72.49 -20.39 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.436 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 40.7 t -92.57 -7.13 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -117.99 -26.93 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.61 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.7 m -112.99 -30.39 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.797 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -117.99 30.74 0.15 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -12.41 32.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.13 -10.85 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -93.74 -50.27 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 6.6 mt -44.56 -50.25 9.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 3.9 tp -57.96 150.91 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -59.0 159.53 13.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.064 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 84.42 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -97.1 -53.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -116.52 17.53 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' SER . 6.5 t -55.39 -49.91 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' SER . 83.2 p -37.9 -51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.28 -177.89 13.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 131.51 21.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 p -111.59 154.37 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -51.62 -47.19 63.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.438 179.967 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t 63.3 42.24 7.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -108.45 158.17 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.82 77.32 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -103.2 132.44 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -40.13 -55.41 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 145.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.4 mt -73.63 164.12 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -145.12 138.73 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.436 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -85.88 151.36 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.19 -32.47 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.518 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.8 mp -51.09 -61.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.27 -39.23 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.436 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.17 35.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -85.77 -179.82 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.44 135.02 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.5 m -141.63 131.3 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -72.07 -42.74 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.45 125.42 34.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.472 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 13.8 tptt -50.01 -58.96 4.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -42.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -59.29 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 14.3 tp -51.37 -59.67 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -52.57 -47.42 66.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -66.54 -26.45 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -80.37 -37.79 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -61.12 -57.7 11.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.64 -37.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -48.31 -44.57 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.518 ' CG ' HG21 ' A' ' 12' ' ' ILE . 84.8 m-70 -58.38 -37.43 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -35.2 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.45 ' HG3' ' N ' ' A' ' 33' ' ' THR . 6.3 pt-20 -90.2 -34.27 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.45 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 21.4 m -66.37 -50.28 64.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 35' ' ' ALA . 28.7 m -34.87 -37.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 34' ' ' VAL . . . -43.64 -63.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -38.02 -47.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.522 HD11 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -86.59 127.75 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -117.99 -29.55 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.4 m-85 -99.95 102.0 16.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.41 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.1 Cg_endo -69.8 174.27 9.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.309 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.476 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -106.11 106.43 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.58 -2.77 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.2 m-85 -91.2 -52.99 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.83 -31.46 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 118.75 -5.03 14.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' CYS . 12.7 mtpp -53.57 -179.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 49.8 mtt-85 -145.68 140.5 27.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.636 ' CD1' HG21 ' A' ' 54' ' ' VAL . 8.0 m-85 -128.7 156.61 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.44 ' N ' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -70.88 -3.31 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.583 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 15.7 pttt -167.2 160.3 10.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.545 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.11 -35.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -83.5 -29.87 27.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.636 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -70.69 -32.04 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.95 -37.33 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.35 -38.89 55.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.581 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.2 t60 -53.07 -37.77 61.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 25.4 mtp180 -67.12 -20.56 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 2.4 t -92.52 -3.73 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.792 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -118.05 -30.75 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.618 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.3 m -112.68 -29.01 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.799 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.7 m-70 -117.99 30.28 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.799 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.72 -10.49 28.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.18 -14.31 24.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' LEU . 65.3 mt -93.32 -55.7 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 65' ' ' LEU . 6.3 mt -37.23 -42.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.469 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 4.2 tp -64.43 151.01 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.469 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -56.97 143.42 71.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.058 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.51 60.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -109.6 129.28 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.27 111.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -151.94 161.02 43.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.9 p -102.0 111.03 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -133.35 114.26 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.8 p -90.73 138.38 31.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -53.89 -58.64 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.451 179.986 . . . . . . . . 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 -0.326 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -99.64 168.7 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -154.59 129.36 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.75 43.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -155.12 137.37 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -156.67 125.83 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.93 140.02 14.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.24 155.66 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.48 ' NE2' HG22 ' A' ' 16' ' ' THR . 28.2 tp60 -128.27 116.19 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' SG ' ' HB ' ' A' ' 12' ' ' ILE . 42.6 t -62.93 116.08 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.04 8.25 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.431 ' HB ' ' SG ' ' A' ' 10' ' ' CYS . 36.6 mm -95.51 -53.36 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.63 -37.96 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.21 16.94 4.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.17 177.81 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.48 HG22 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -142.82 139.0 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.19 122.44 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 18' ' ' ARG . 23.4 mtt-85 -61.85 -46.74 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -73.17 137.5 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -70.95 -57.73 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.04 -42.35 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -57.77 -49.0 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.25 -54.7 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.07 -42.07 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 25' ' ' TRP . 4.8 t-105 -68.24 -27.11 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.78 -15.76 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.65 -36.13 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -55.47 -33.51 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.452 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 14.2 pttt -69.19 -35.35 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.452 ' N ' ' HG3' ' A' ' 29' ' ' LYS . 16.1 m-70 -55.27 -40.15 70.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.82 -35.49 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.24 -36.38 24.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.2 m -66.38 -50.61 62.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.459 HG21 ' N ' ' A' ' 35' ' ' ALA . 28.7 m -43.29 -36.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.459 ' N ' HG21 ' A' ' 34' ' ' VAL . . . -56.81 -50.52 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.863 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -42.16 -64.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.49 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -52.17 128.0 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -117.45 -31.7 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.578 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.9 m-85 -99.47 102.1 15.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 171.57 14.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.477 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 14.7 t -105.95 105.66 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.4 -1.93 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.548 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.7 m-85 -90.7 -52.06 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.01 -36.12 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.55 -9.41 7.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.1 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 80.7 mtt85 -147.66 144.56 28.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.621 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.6 m-85 -132.69 152.81 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.463 ' N ' HD11 ' A' ' 37' ' ' LEU . 1.4 pt-20 -63.35 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.473 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -153.59 162.8 25.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.841 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.578 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -44.98 -39.3 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -79.34 -28.18 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.621 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.9 t -73.1 -34.98 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.43 -38.21 71.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.63 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.453 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.8 t60 -55.29 -34.51 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.3 mtt180 -72.11 -20.86 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -92.18 -6.72 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -117.95 -25.18 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.59 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -115.76 -31.21 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.786 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.93 32.32 0.17 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.718 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.77 -15.54 37.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.28 -14.7 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LEU . 93.4 mt -91.35 -48.83 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.422 ' C ' ' O ' ' A' ' 65' ' ' LEU . 10.3 mt -35.76 -41.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.16 177.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 70' ' ' GLN . . . -68.25 141.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.76 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.433 ' H ' ' C ' ' A' ' 68' ' ' ALA . 23.0 tt0 -45.88 -49.96 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -137.65 112.09 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -133.32 174.85 9.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.6 m -148.16 118.91 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.69 161.72 34.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.68 59.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.0 m -81.91 147.58 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t 63.01 41.58 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.5 -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 -0.301 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -98.5 108.31 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -97.26 131.39 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.29 -145.73 1.03 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -77.06 166.21 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -49.71 -51.42 38.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.87 139.78 1.37 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.27 151.9 39.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.452 ' NE2' HG21 ' A' ' 16' ' ' THR . 24.1 tp60 -133.43 116.83 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.1 t -71.89 149.54 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.4 -31.93 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.46 ' CG2' ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -51.7 -62.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.29 -38.01 6.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.86 30.83 2.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -83.56 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.452 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.5 p -136.48 130.6 32.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -139.93 135.37 32.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -45.65 52.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.55 141.31 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -72.76 -52.26 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.67 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -61.37 -54.31 45.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -45.83 -50.86 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.09 -54.26 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.0 t-105 -63.64 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -82.64 -19.93 37.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -89.99 -37.86 14.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.86 -33.11 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -63.74 -38.49 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.46 ' CG ' ' CG2' ' A' ' 12' ' ' ILE . 34.0 m-70 -52.04 -39.47 59.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.85 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.471 ' HG3' ' N ' ' A' ' 33' ' ' THR . 8.9 pt-20 -81.27 -40.06 24.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.471 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 92.0 m -44.95 -50.99 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' ALA . 84.7 t -36.44 -56.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' VAL . . . -34.54 -46.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -53.76 -68.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER -52.16 123.72 11.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mpt_? -117.91 -30.02 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.577 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.6 m-85 -99.49 101.99 15.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.71 171.09 15.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.48 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.9 t -104.95 107.75 18.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -67.01 -0.84 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.48 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 5.6 m-85 -92.87 -51.71 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.91 -35.46 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.44 -8.38 8.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.401 ' O ' ' N ' ' A' ' 41' ' ' CYS . 15.3 mtpp -51.99 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 47.9 mtt-85 -147.38 143.41 27.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG21 ' A' ' 54' ' ' VAL . 2.4 m-85 -131.75 154.2 49.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.477 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.3 pt-20 -62.33 -18.98 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.6 ptpt -155.42 163.94 22.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.577 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.78 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.21 -37.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m -82.15 -30.18 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.634 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -70.92 -26.54 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.44 -38.4 49.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.89 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.517 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.11 -36.37 63.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' NH2' ' CD2' ' A' ' 66' ' ' LEU . 10.5 mtp-105 -70.61 -20.31 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 4.3 m -93.51 -4.72 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.87 -33.33 4.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.588 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 3.6 m -107.88 -29.31 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.79 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.2 m-70 -118.01 31.87 0.17 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.79 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.75 -7.93 22.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.8 -11.62 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' LEU . 27.9 mt -97.34 -53.45 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.471 ' CD2' ' NH2' ' A' ' 58' ' ' ARG . 9.7 mt -36.71 -43.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.433 ' N ' HD23 ' A' ' 67' ' ' LEU . 4.4 mm? -57.71 168.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.69 161.68 19.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.598 0.714 . . . . 0.0 111.085 179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.596 2.197 . . . . 0.0 112.362 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.6 pt20 -39.87 -44.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . 0.427 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 1.6 pm0 -76.17 117.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 t -75.35 155.11 36.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 p -67.57 170.82 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.51 -116.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -36.89 9.88 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 p -55.66 122.4 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.9 m -101.45 145.49 28.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.448 -179.986 . . . . . . . . 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 -0.329 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -114.31 119.58 37.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -127.46 144.5 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.61 51.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -130.56 177.49 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.901 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -79.47 113.58 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.95 139.68 2.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 142.37 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -133.51 127.74 33.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.438 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -77.1 150.27 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -100.37 -32.56 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.506 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 mp -48.64 -59.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -110.57 -38.03 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.438 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 112.57 41.34 1.04 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -90.57 174.97 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.89 131.83 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -151.71 123.89 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -61.47 -44.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -71.95 119.62 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.0 -51.14 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.88 -49.72 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 m -52.46 -45.13 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.03 -59.96 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -47.21 -55.55 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -58.42 -25.59 62.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.42 -22.12 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -88.09 -41.3 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -46.5 -39.02 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.473 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 15.6 pttt -69.52 -38.28 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CG ' HG21 ' A' ' 12' ' ' ILE . 6.7 m-70 -56.18 -39.7 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.29 -46.04 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 33' ' ' THR . 11.0 pt-20 -78.64 -37.32 42.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.469 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 85.3 m -62.85 -61.21 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.462 ' C ' ' O ' ' A' ' 33' ' ' THR . 26.9 m -32.17 -37.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -75.39 -60.28 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -34.49 -39.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 49' ' ' GLU . 8.2 mt -59.17 120.78 9.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -118.01 -30.57 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.2 m-85 -98.19 101.99 12.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 172.53 12.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.498 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.6 t -107.26 105.76 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -65.88 -2.2 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.7 m-85 -91.11 -51.92 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.87 -36.05 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.06 -9.75 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.71 -179.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 30.2 mtt-85 -146.57 143.82 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.646 ' CD1' HG21 ' A' ' 54' ' ' VAL . 4.5 m-85 -132.11 146.24 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.465 ' N ' HD22 ' A' ' 37' ' ' LEU . 1.3 pt-20 -54.86 -21.17 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -152.19 163.17 24.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.584 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -43.61 2.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -41.72 -39.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -79.97 -27.39 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.646 HG21 ' CD1' ' A' ' 48' ' ' PHE . 1.6 t -71.55 -32.49 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.78 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.48 -39.3 64.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.424 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -56.5 -34.38 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.497 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 38.5 mtt180 -73.33 -19.13 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 75.2 m -92.6 -7.54 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -118.02 -29.05 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.587 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 3.1 m -110.24 -31.35 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.77 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.99 33.03 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.77 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.21 -10.19 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 66' ' ' LEU . 85.2 mt -95.44 -50.57 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.419 ' C ' ' O ' ' A' ' 65' ' ' LEU . 10.8 mt -36.34 -41.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -52.31 151.9 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.96 150.02 8.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.136 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 80.14 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.37 -38.34 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.75 36.7 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -65.88 -47.37 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.9 p -103.08 157.61 16.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.61 89.51 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.12 32.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -43.42 -42.63 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -58.77 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.502 -179.961 . . . . . . . . 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 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.34 163.8 33.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -68.38 -62.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.58 117.63 6.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -87.35 -48.37 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -152.65 131.44 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.39 152.81 10.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 9.5 mt -80.65 148.69 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 tp60 -122.54 120.83 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.35 152.38 43.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.27 -32.84 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.522 HG22 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -55.62 -68.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.7 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.41 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.31 172.35 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.45 130.63 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -143.22 132.95 23.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.37 69.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 156.36 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.464 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -79.7 -52.04 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.25 -54.16 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 p -43.56 -48.77 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.1 tp -57.24 -52.77 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -55.29 -46.93 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 1.2 t-105 -67.88 -32.25 72.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.458 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.8 t60 -81.75 -17.99 45.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -88.64 -36.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -59.65 -30.94 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HE3' ' ND1' ' A' ' 26' ' ' HIS . 13.0 pttp -73.43 -35.37 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.522 ' CG ' HG22 ' A' ' 12' ' ' ILE . 3.9 m-70 -51.65 -40.57 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.75 -40.98 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -82.95 -43.63 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' VAL . 28.9 m -57.58 -58.59 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' THR . 7.8 p -33.62 -42.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -75.31 -48.34 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -44.66 -34.04 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.469 HD23 ' N ' ' A' ' 49' ' ' GLU . 3.8 mt -74.66 120.54 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -117.98 -28.73 5.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.581 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.0 m-85 -97.78 101.98 12.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.76 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.495 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.4 t -105.88 106.86 17.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.91 -2.07 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.506 ' CZ ' HD23 ' A' ' 66' ' ' LEU . 11.7 m-85 -91.8 -53.1 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.01 -31.91 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 120.16 -6.09 12.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' CYS . 6.0 mtpm? -52.12 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.405 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 41.1 mtt180 -145.34 139.1 26.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.628 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.3 m-85 -129.35 147.99 51.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.469 ' N ' HD23 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -57.49 -18.89 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.9 ptpt -155.19 163.58 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.581 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -42.85 3.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.55 -37.77 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -81.03 -27.34 35.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.628 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -73.02 -28.53 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.68 58.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.0 -37.67 58.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.58 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.51 -34.83 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 62' ' ' HIS . 35.8 mtp180 -70.4 -19.86 62.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.0 t -92.84 -5.91 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.05 -28.47 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.589 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -112.77 -30.24 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.5 m-70 -118.08 31.72 0.17 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.82 -12.57 33.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.98 -14.49 20.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 77.0 mt -95.12 -54.02 3.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 HD23 ' CZ ' ' A' ' 43' ' ' PHE . 11.9 mt -42.01 -51.1 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.59 176.09 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -123.99 158.28 60.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.121 179.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 120.97 7.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -65.72 163.85 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 67.33 43.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -87.01 148.92 25.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.6 p -55.02 133.48 48.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.6 -144.04 4.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 133.37 25.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -112.87 -35.51 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 m 62.09 42.8 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.531 -179.951 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -101.18 150.93 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 t -130.78 117.91 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.54 122.15 2.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 p -136.27 147.4 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -122.75 167.74 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.46 144.54 3.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 27.0 mt -75.86 160.92 29.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.828 0.346 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' NE2' HG21 ' A' ' 16' ' ' THR . 26.4 tp60 -141.56 113.89 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.451 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -71.13 149.77 46.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.75 -30.6 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.514 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.7 mp -51.51 -60.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -111.24 -38.01 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.44 37.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -84.53 175.09 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.458 HG21 ' NE2' ' A' ' 9' ' ' GLN . 1.3 p -144.82 132.0 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 14.6 p -140.73 146.6 37.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.469 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 2.1 mpt_? -83.07 -44.87 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -87.02 124.88 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.466 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 14.2 tptm -49.21 -51.12 34.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.31 -51.13 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -46.13 -45.05 16.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.8 tp -54.74 -55.54 28.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -47.82 -48.71 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 3.7 t-105 -67.12 -26.42 66.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.08 -42.11 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -50.47 -35.94 31.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.05 -41.32 95.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.514 ' CG ' HG21 ' A' ' 12' ' ' ILE . 20.7 m-70 -51.43 -44.45 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.4 ' O ' ' CG2' ' A' ' 34' ' ' VAL . . . -52.85 -36.08 58.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -83.07 -39.29 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.7 m -60.34 -51.94 67.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.4 ' CG2' ' O ' ' A' ' 31' ' ' ALA . 17.3 m -38.08 -37.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.174 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.88 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.85 -47.93 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.479 HD23 ' N ' ' A' ' 49' ' ' GLU . 10.0 mt -57.42 111.2 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.64 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.04 -22.31 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.64 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 62.9 m-85 -100.21 101.26 13.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.402 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.72 166.18 28.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.4 t -101.35 108.52 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.95 0.83 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.533 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 10.3 m-85 -96.16 -59.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.6 -31.43 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 118.62 -5.23 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.41 ' O ' ' N ' ' A' ' 41' ' ' CYS . 29.5 mttp -52.12 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 65.2 mtt180 -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.636 ' CD1' HG22 ' A' ' 54' ' ' VAL . 4.6 m-85 -127.34 156.44 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.479 ' N ' HD23 ' A' ' 37' ' ' LEU . 1.7 pt-20 -68.09 -13.66 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.952 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.567 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 9.0 ptpt -158.55 161.94 27.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.609 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 54.5 Cg_endo -69.72 -41.02 4.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -35.78 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 m -83.28 -30.8 27.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.636 HG22 ' CD1' ' A' ' 48' ' ' PHE . 2.1 t -69.88 -28.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.17 -40.13 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.19 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.587 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -58.66 -32.7 69.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 62' ' ' HIS . 32.5 mtp180 -72.82 -20.34 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.405 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 9.3 t -92.82 -6.07 49.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -117.98 -30.56 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.59 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 3.8 m -109.92 -31.23 7.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.757 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -117.93 32.94 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.757 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -12.7 33.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.41 -11.31 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 72.5 mt -96.78 -44.08 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 11.8 mt -47.76 -44.26 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 4.8 tp -61.13 151.43 31.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.465 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -64.28 159.72 55.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 111.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -175.19 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -161.71 168.08 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.71 127.16 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -157.75 121.24 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.6 p -95.13 113.33 25.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.49 133.57 3.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 156.16 64.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.9 p -58.58 169.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 p -87.84 17.44 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.46 -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 -0.346 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -112.06 115.92 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -122.07 173.37 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.62 -171.69 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 m -66.48 136.48 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -48.87 -52.23 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.03 148.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.1 mt -72.06 154.16 41.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.711 0.291 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.489 ' OE1' ' CG2' ' A' ' 16' ' ' THR . 29.1 tp60 -135.7 114.8 12.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.444 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.3 t -69.68 147.41 50.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.83 -29.16 12.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.401 ' CG2' ' CG ' ' A' ' 30' ' ' HIS . 4.2 mp -52.98 -58.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.98 -37.96 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.444 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.33 35.28 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -88.71 177.05 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.489 ' CG2' ' OE1' ' A' ' 9' ' ' GLN . 1.8 p -141.28 133.9 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.97 141.37 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.75 -48.86 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.54 122.83 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -54.64 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.76 -45.3 58.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 m -53.48 -51.03 64.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 22.0 tp -47.23 -59.1 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -45.62 -56.42 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -55.82 -27.96 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.49 -16.22 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.69 -46.58 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -45.81 -37.64 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -41.03 89.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.401 ' CG ' ' CG2' ' A' ' 12' ' ' ILE . 31.5 m-70 -51.1 -39.46 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -82.2 -33.7 29.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 13.1 m -80.45 16.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.5 m -63.81 -25.98 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.45 98.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.411 ' O ' ' HG3' ' A' ' 38' ' ' ARG . . . -42.92 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.508 ' CB ' ' HB3' ' A' ' 47' ' ' ARG . 0.0 OUTLIER -58.83 127.18 30.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.411 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 3.2 mtp180 -117.98 -23.97 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.576 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -111.87 102.03 52.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.86 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.502 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.3 t -103.08 106.16 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 0.03 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.4 m-85 -93.09 -53.66 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.0 -32.26 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.33 -2.77 10.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.494 ' HD2' ' CE1' ' A' ' 57' ' ' HIS . 13.6 mttm -51.97 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.508 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 59.4 mtm180 -150.8 138.67 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.627 ' CD1' HG23 ' A' ' 54' ' ' VAL . 13.6 m-85 -135.38 148.89 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.39 0.75 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.576 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 ptpp? -161.86 155.06 17.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.485 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 -42.66 3.18 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.78 -37.92 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.449 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 4.0 m -80.45 -30.5 37.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.627 HG23 ' CD1' ' A' ' 48' ' ' PHE . 1.7 t -70.76 -31.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.16 -36.23 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.41 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.494 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 5.8 t60 -55.74 -38.14 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 40.7 mtp180 -66.67 -20.16 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 20.7 t -92.45 -4.24 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -117.93 -31.4 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 t -111.5 -28.89 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.808 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.96 29.86 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -8.09 22.71 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.08 -13.25 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.7 mt -93.83 -53.51 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.4 mt -40.01 -50.32 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.59 175.52 7.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.87 145.9 69.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.76 3.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -119.42 116.33 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -38.39 -44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -76.34 158.5 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -151.86 136.52 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.29 136.78 13.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.06 15.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.9 p -146.62 125.06 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 p -76.5 -34.55 58.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.499 -179.944 . . . . . . . . 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 -0.317 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -67.93 111.1 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -122.93 121.6 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.54 88.64 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 p -139.11 167.75 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -69.91 175.57 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.6 137.31 3.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 4.0 mt -71.12 158.71 35.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -143.42 118.89 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -64.18 150.54 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -99.34 -35.09 10.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.563 HG23 ' CE1' ' A' ' 30' ' ' HIS . 4.3 mp -48.6 -65.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.25 -41.05 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.07 32.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.542 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.73 176.98 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -145.22 134.04 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.177 -179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.6 m -138.06 122.08 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -54.83 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.36 158.47 35.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -76.49 -59.98 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.75 -48.05 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 p -42.39 -57.7 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.41 -46.58 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -66.15 -22.78 66.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' ND1' ' CD ' ' A' ' 29' ' ' LYS . 1.8 t60 -90.21 -37.65 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -54.0 -17.19 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -77.74 -28.73 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.57 ' CD ' ' ND1' ' A' ' 26' ' ' HIS . 3.5 mtpm? -47.69 -53.95 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.563 ' CE1' HG23 ' A' ' 12' ' ' ILE . 30.5 m-70 -61.66 -45.89 92.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.31 -32.87 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -86.35 -44.66 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.496 ' O ' ' N ' ' A' ' 35' ' ' ALA . 19.7 m -59.06 -55.24 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.469 HG22 ' N ' ' A' ' 35' ' ' ALA . 34.1 m -32.82 -35.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -55.59 -57.94 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.62 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 49' ' ' GLU . 5.6 mt -69.91 116.66 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.97 -28.96 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.5 m-85 -99.22 101.96 14.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.401 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.7 Cg_endo -69.71 175.8 7.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -108.12 105.69 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.67 -1.53 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.56 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.9 m-85 -92.24 -53.02 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -118.0 -31.35 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 119.86 -7.27 12.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' CYS . 13.8 mtpt -52.32 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.401 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 81.5 mtt-85 -146.77 140.21 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.604 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.2 m-85 -128.51 152.38 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.488 ' N ' HD23 ' A' ' 37' ' ' LEU . 1.1 pt-20 -65.37 -10.85 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.585 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -159.13 161.41 27.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.523 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.75 -43.93 2.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.406 ' CB ' ' HZ1' ' A' ' 50' ' ' LYS . 6.7 t70 -42.93 -39.07 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -79.32 -29.06 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.604 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -71.65 -32.92 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.39 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.442 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.5 t60 -57.08 -35.17 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.476 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 53.8 mtt180 -72.9 -19.46 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 7.8 t -92.63 -7.67 46.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.99 -27.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.594 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.6 m -112.4 -30.57 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.787 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -118.06 31.85 0.17 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.76 -14.05 35.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.21 -14.06 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.29 -51.09 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 7.5 mt -38.49 -42.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.14 170.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.42 149.5 36.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.703 . . . . 0.0 111.049 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -173.71 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.23 . . . . 0.0 112.348 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -58.81 113.5 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.02 134.31 47.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.7 p -153.69 167.1 30.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.6 m 52.32 39.54 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.478 ' C ' ' H ' ' A' ' 76' ' ' SER . . . 75.48 134.88 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 15.28 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.478 ' H ' ' C ' ' A' ' 74' ' ' GLY . 58.5 m -37.62 -50.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -88.14 -56.05 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.492 -179.976 . . . . . . . . 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 -0.339 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -116.51 138.53 51.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -136.02 172.29 13.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.32 109.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -71.53 -54.78 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.83 -50.14 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.82 151.18 4.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.495 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.1 mt -71.3 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -156.57 128.51 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.1 151.47 40.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -98.33 -32.37 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.56 HG22 ' CE1' ' A' ' 30' ' ' HIS . 4.4 mp -53.59 -68.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.3 p -97.94 -44.08 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.86 35.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.87 173.66 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -147.23 132.68 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.855 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.2 m -151.63 138.65 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -69.6 -55.76 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -69.35 121.81 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.495 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 5.7 tptp -58.89 -66.68 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -33.1 -38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LYS . 35.4 m -74.29 -48.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD23 ' CG ' ' A' ' 27' ' ' GLN . 0.2 OUTLIER -66.31 -55.32 16.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . 0.495 ' N ' HD12 ' A' ' 23' ' ' LEU . 27.2 m-20 -47.72 -48.35 29.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.4 ' O ' ' HG2' ' A' ' 28' ' ' ARG . 2.9 t-105 -59.08 -29.46 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -74.49 -51.67 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.55 ' CG ' HD23 ' A' ' 23' ' ' LEU . 6.7 mt-30 -45.82 -37.88 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.4 ' HG2' ' O ' ' A' ' 25' ' ' TRP . 1.1 ptm180 -77.3 -24.64 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.441 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 3.8 ptpt -54.08 -29.66 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.56 ' CE1' HG22 ' A' ' 12' ' ' ILE . 94.0 m-70 -68.01 -43.25 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.21 -35.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -85.34 -47.97 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 20.1 m -52.32 -49.98 63.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 33' ' ' THR . 27.2 m -36.42 -31.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -44.05 -45.93 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -70.8 -67.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD12 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.72 124.33 16.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -118.0 -29.62 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.585 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 6.2 m-85 -98.79 101.96 13.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 170.43 16.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.458 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 10.6 t -105.96 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -67.6 -0.34 3.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.572 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.6 m-85 -92.51 -54.36 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.44 -32.25 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.9 -7.18 10.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mtpp -52.13 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.433 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 30.0 mtp180 -148.22 144.4 27.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.8 m-85 -132.55 158.47 42.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.476 ' N ' HD13 ' A' ' 37' ' ' LEU . 1.5 pt-20 -69.02 -18.98 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 4.7 ptpt -152.59 163.52 23.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.585 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.8 -39.58 6.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -35.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -82.24 -29.5 31.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.615 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -73.29 -33.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.58 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.84 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 7.3 t60 -54.58 -33.34 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 22.9 mtp180 -73.13 -20.34 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 10.1 t -92.49 -9.49 41.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -118.01 -22.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.579 ' C ' ' CD ' ' A' ' 63' ' ' PRO . 1.3 t -115.04 -33.38 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.747 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.5 m-70 -118.04 34.28 0.2 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.85 -12.26 32.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.44 -14.24 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' LEU . 97.3 mt -95.35 -57.15 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.458 ' CD1' ' O ' ' A' ' 58' ' ' ARG . 6.8 mt -37.15 -43.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -57.14 173.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -80.91 158.86 69.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.794 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 162.06 43.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -47.29 -52.93 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -52.16 159.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -62.19 139.08 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -164.09 175.91 9.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.84 162.27 12.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.367 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -83.47 171.43 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -72.11 135.03 46.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.491 -179.986 . . . . . . . . 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 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 m -154.98 155.48 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -76.87 -56.74 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.6 -82.42 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 67.07 42.58 2.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -100.27 119.92 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.63 159.77 18.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 14.5 mt -81.07 138.22 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.732 0.301 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' ' O ' ' A' ' 14' ' ' GLY . 23.4 tp60 -113.73 130.11 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.72 151.66 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -98.62 -33.05 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.506 HG22 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -56.19 -70.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -97.96 -44.71 6.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 118.91 25.85 2.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.48 174.39 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.04 131.62 44.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.9 m -142.33 129.77 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.99 -64.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.15 134.38 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.469 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 19.8 tptm -54.74 -51.98 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.18 -59.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 m -49.08 -54.03 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.4 tp -52.97 -51.08 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.63 -51.34 65.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -64.85 -24.87 67.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -84.11 -15.29 47.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.38 -54.85 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -47.11 -33.86 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.88 -38.34 90.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.506 ' CG ' HG22 ' A' ' 12' ' ' ILE . 32.0 m-70 -51.12 -43.23 61.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -54.04 -32.45 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -89.36 -40.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.503 ' O ' ' N ' ' A' ' 35' ' ' ALA . 32.0 m -59.59 -46.85 87.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 33' ' ' THR . 34.0 m -35.99 -29.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -70.18 -58.29 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -34.11 -58.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.468 HD11 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.25 126.47 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.6 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -117.94 -29.27 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.6 ' CE1' ' HG3' ' A' ' 38' ' ' ARG . 59.2 m-85 -98.2 102.01 12.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 170.06 17.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 13.3 t -105.01 110.36 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -69.78 1.8 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 21.6 m-85 -94.89 -52.78 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 -36.35 3.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.29 -8.04 7.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 23.2 mtpt -52.3 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.947 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 43.7 mtt180 -148.45 145.28 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.615 ' CD1' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -134.06 153.48 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.2 pt-20 -62.8 -19.5 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.496 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 2.6 pttt -153.6 164.26 21.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.585 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.79 -45.95 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -40.33 -38.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.5 m -80.68 -32.61 35.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.615 HG23 ' CD1' ' A' ' 48' ' ' PHE . 1.6 t -68.15 -31.19 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.47 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -35.83 62.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.583 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 4.8 t60 -57.67 -34.43 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' CE1' ' A' ' 43' ' ' PHE . 48.0 mtp180 -67.55 -22.14 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -93.35 -4.45 51.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -117.01 -28.92 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -114.58 -28.02 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.8 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -118.01 29.81 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.8 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.74 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.04 -18.77 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.502 HD13 ' CA ' ' A' ' 62' ' ' HIS . 0.5 OUTLIER -89.85 -48.29 7.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.56 -46.3 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.414 ' N ' HD11 ' A' ' 67' ' ' LEU . 9.7 mp -64.56 178.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -103.99 160.28 26.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 107.39 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -91.8 135.09 34.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.47 157.15 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.4 p -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 p -105.33 136.15 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.55 157.53 25.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -174.45 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.2 m -106.84 122.2 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.6 t -134.51 159.5 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.49 -179.946 . . . . . . . . 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 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -128.32 136.55 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -84.06 130.65 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.51 -40.02 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -38.31 -61.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -70.89 148.36 47.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.25 166.16 27.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 6.4 mt -70.83 155.23 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.953 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.46 ' NE2' HG22 ' A' ' 16' ' ' THR . 28.7 tp60 -137.97 109.38 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 4.2 t -63.71 149.29 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -99.71 -33.71 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.536 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -51.33 -61.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -105.53 -42.23 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 115.45 32.01 1.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -83.26 175.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.46 HG22 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -139.91 134.51 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -151.98 132.15 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -67.48 -57.64 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -72.62 124.01 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.6 tptm -59.12 -52.78 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.0 -58.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.1 m -55.21 -47.7 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -51.65 -46.69 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -55.01 -57.24 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -57.98 -26.63 62.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -78.82 -14.92 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' HIS . 57.0 mt-30 -92.87 -46.29 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -41.76 -38.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -63.93 -38.87 92.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.536 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 -53.93 -36.83 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.06 65.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.467 ' HG3' ' N ' ' A' ' 33' ' ' THR . 9.0 pt-20 -90.17 -38.11 13.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.467 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 20.1 m -57.2 -49.57 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.455 HG12 ' N ' ' A' ' 35' ' ' ALA . 3.8 p -39.92 -40.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.455 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -57.17 -54.46 46.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -35.68 -49.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.553 HD12 ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -66.8 118.88 10.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.646 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.06 -26.49 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.646 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 61.5 m-85 -97.1 102.0 11.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.78 169.99 17.65 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.0 t -107.49 109.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.435 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.8 tp10 -64.47 -15.93 61.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.555 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 12.6 m-85 -77.02 -57.52 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.7 -35.78 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 122.02 -6.0 10.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 19.1 mtpp -52.04 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.424 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 80.0 mtt180 -144.39 140.36 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.664 ' CD1' HG21 ' A' ' 54' ' ' VAL . 7.3 m-85 -129.43 157.67 41.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.489 ' N ' HD13 ' A' ' 37' ' ' LEU . 1.9 pt-20 -69.05 -12.15 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.7 pttm -161.04 162.7 21.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.611 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 -42.33 3.5 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.85 -34.05 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -84.95 -29.62 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.664 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.0 t -71.04 -28.66 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.81 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.0 -39.23 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.582 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.1 t60 -52.14 -37.56 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.2 mtp180 -68.05 -18.96 64.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 8.2 t -92.51 -4.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -118.0 -33.63 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.7 m -109.35 -27.97 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.806 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.3 m-70 -118.0 29.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.78 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.97 -15.76 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 95.6 mt -96.19 -55.46 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 mt -38.51 -44.81 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 tp -54.59 160.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.83 130.25 76.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.77 55.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -102.04 156.44 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -116.03 174.84 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m -112.91 174.52 5.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.2 p -60.89 151.27 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.99 162.65 38.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' SER . 54.0 Cg_endo -69.77 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' PRO . 4.1 m -35.39 -42.43 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.8 t -110.06 123.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.496 179.989 . . . . . . . . 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 1.452 -0.26 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.0 t -141.93 112.43 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.8 p -37.91 -42.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.44 122.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -80.81 175.42 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -146.38 172.14 13.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.04 143.02 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.457 ' NE2' HG23 ' A' ' 16' ' ' THR . 25.8 tp60 -122.17 121.51 37.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.01 148.38 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -98.28 -31.21 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 41.7 mm -55.82 -70.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.58 -42.63 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.23 24.75 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.21 175.98 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.457 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -139.83 133.82 30.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.95 137.59 22.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -70.37 -55.38 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.41 152.25 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -74.98 -51.08 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.43 -50.84 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -62.21 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.9 -42.91 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.5 -58.19 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -55.45 -23.36 25.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 4.8 t60 -82.97 -18.17 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.41 -46.14 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -43.1 -39.47 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -60.39 -38.71 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . . . . . . . . . 21.1 m-70 -54.77 -31.49 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -66.96 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 33' ' ' THR . 3.6 pt-20 -88.89 -29.16 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.457 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 0.8 OUTLIER -69.43 -24.84 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.409 ' N ' HG22 ' A' ' 33' ' ' THR . 23.1 m -45.98 -31.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.28 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.35 -62.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.466 ' CD1' ' N ' ' A' ' 37' ' ' LEU . 0.1 OUTLIER -56.53 118.74 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.643 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.93 -24.79 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.643 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 60.7 m-85 -98.44 101.96 13.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.698 0.761 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 167.63 23.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.491 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 12.9 t -104.03 108.16 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.77 -1.1 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 19.1 m-85 -93.03 -56.26 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.34 -30.82 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.97 -6.29 15.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 17.9 mtpt -52.03 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 28.4 mtt-85 -145.83 137.87 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG21 ' A' ' 54' ' ' VAL . 6.7 m-85 -126.77 158.05 37.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.436 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.4 pt-20 -71.15 -9.01 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.559 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.8 pttm -163.33 162.48 17.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.615 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.79 -44.53 2.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -42.84 -34.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -84.01 -31.79 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.634 HG21 ' CD1' ' A' ' 48' ' ' PHE . 2.1 t -69.95 -29.22 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.24 54.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.21 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 3.2 t60 -54.15 -35.26 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' HIS . 12.2 mtp-105 -68.12 -21.33 64.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 19.9 t -92.97 -5.3 51.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.757 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -117.99 -26.21 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 t -116.36 -29.1 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.99 29.16 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.96 -19.03 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.483 HD11 ' N ' ' A' ' 65' ' ' LEU . 1.0 OUTLIER -89.73 -54.71 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD2' ' NH2' ' A' ' 58' ' ' ARG . 8.7 mt -38.91 -51.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.96 176.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.68 111.95 53.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.093 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 138.65 38.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -65.38 158.8 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.14 104.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 t -119.86 143.25 48.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -93.31 115.37 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.38 172.57 14.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.27 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.9 p -86.74 -57.4 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 p -131.85 118.38 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.478 -179.941 . . . . . . . . 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 -0.324 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -77.72 -44.92 26.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -83.15 135.1 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.48 84.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -146.54 137.11 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.802 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -146.28 118.22 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.5 156.96 22.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.439 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.2 mt -70.89 146.03 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -132.77 130.74 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -78.27 152.47 32.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.75 -34.87 9.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.567 HG23 ' CE1' ' A' ' 30' ' ' HIS . 4.0 mp -48.03 -61.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.48 -38.74 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.93 38.8 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -89.79 177.37 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.26 132.65 20.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.23 145.58 39.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -75.28 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -73.81 133.95 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.439 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 10.6 tttm -61.47 -54.55 41.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.89 -52.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -49.89 -44.46 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.19 -46.12 86.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.44 -53.92 47.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.5 t-105 -53.4 -28.24 28.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.424 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 8.9 t60 -85.34 -15.45 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -91.85 -40.11 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.467 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 23.7 ptt85 -50.73 -35.3 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.467 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 pttm -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.567 ' CE1' HG23 ' A' ' 12' ' ' ILE . 4.2 m-70 -56.34 -42.25 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.18 -29.18 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.78 -40.91 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . 62.7 m -55.12 -30.67 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 35' ' ' ALA . 11.3 m -34.35 -32.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -50.63 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.521 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -54.33 131.93 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mpt_? -117.08 -31.61 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.604 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.2 m-85 -98.09 102.02 12.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 172.67 12.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.533 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -105.65 107.18 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.06 0.02 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.6 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -92.97 -52.83 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.04 -37.41 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 128.85 -9.04 6.4 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' CYS . 34.5 mtpt -52.09 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 58.3 mtp85 -149.06 149.37 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.651 ' CD1' HG22 ' A' ' 54' ' ' VAL . 2.1 m-85 -138.3 152.98 49.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.485 ' N ' HD11 ' A' ' 37' ' ' LEU . 1.6 pt-20 -60.72 -25.67 66.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.555 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -146.62 163.82 27.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.604 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 -43.49 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -43.51 -37.19 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.6 m -81.62 -29.24 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.651 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.5 t -70.79 -35.6 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.17 70.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.16 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -58.15 -34.5 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.494 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 41.3 mtt180 -75.65 -18.83 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.465 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 34.8 t -93.09 -11.81 32.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -117.96 -23.26 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.64 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -112.48 -29.92 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.826 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.1 m-70 -118.02 28.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.4 -14.22 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt -93.28 -47.07 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.9 mt -47.06 -45.75 21.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.97 153.15 41.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.65 160.22 81.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.099 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 172.92 11.77 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -97.5 162.97 13.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -76.93 106.79 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -154.45 175.33 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -65.14 149.64 49.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.72 169.94 18.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -79.34 -43.36 23.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 97.0 p -85.29 -57.32 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.474 -179.976 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -96.83 175.59 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -109.24 142.15 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.54 166.49 21.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -150.68 155.53 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -58.96 147.34 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.77 142.12 9.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.26 146.45 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -136.45 117.6 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.8 t -68.8 148.36 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.76 -32.71 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.517 HG23 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -48.71 -60.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -107.25 -37.68 6.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.27 37.38 1.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -91.38 174.82 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.55 132.25 25.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.8 p -138.39 156.54 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -90.99 -55.83 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -77.96 126.89 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.27 -48.38 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.92 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -43.83 -44.33 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.468 ' HG ' ' NE2' ' A' ' 27' ' ' GLN . 8.4 tp -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.86 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -73.82 -24.25 59.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.411 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.0 t60 -88.18 -22.67 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . 0.468 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 61.1 mt-30 -90.55 -41.6 11.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.439 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 36.4 ptt85 -40.56 -36.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . 0.439 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -71.32 -39.05 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.517 ' CG ' HG23 ' A' ' 12' ' ' ILE . 18.5 m-70 -53.34 -36.2 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.65 -42.36 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.1 pt-20 -81.38 -33.56 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.456 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.0 m -64.44 -55.5 20.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.449 HG12 ' N ' ' A' ' 35' ' ' ALA . 7.7 p -41.47 -41.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.449 ' N ' HG12 ' A' ' 34' ' ' VAL . . . -62.99 -54.49 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.4 ' O ' ' HA ' ' A' ' 49' ' ' GLU . . . -45.53 -36.4 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.48 HD23 ' N ' ' A' ' 49' ' ' GLU . 6.5 mt -74.15 114.81 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.611 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.89 -20.75 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.611 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 51.5 m-85 -101.62 100.08 13.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.404 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.79 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 42.8 t -101.83 110.25 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.8 0.61 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 2.3 m-85 -95.36 -53.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -116.98 -34.72 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.08 -6.61 9.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.404 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 40.6 mtpt -51.98 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 49.3 mtm180 -145.01 138.41 26.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG23 ' A' ' 54' ' ' VAL . 3.1 m-85 -127.55 147.86 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.48 ' N ' HD23 ' A' ' 37' ' ' LEU . 0.6 OUTLIER -61.43 -10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.58 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.6 pttp -161.65 161.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.608 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.72 -42.62 3.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -43.18 -36.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -82.42 -29.63 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.634 HG23 ' CD1' ' A' ' 48' ' ' PHE . 2.1 t -71.87 -27.08 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.17 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.95 59.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.4 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.7 t60 -56.53 -38.82 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 15.0 mtm180 -71.49 -20.47 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 6.1 t -92.44 -7.37 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -117.97 -27.41 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.601 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.5 m -112.71 -30.33 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.791 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.98 30.84 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.44 -10.35 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.461 ' CD1' ' CD1' ' A' ' 43' ' ' PHE . 91.7 mt -95.46 -55.53 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mt -38.87 -45.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 5.2 tp -64.29 152.07 42.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.473 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -63.7 150.96 89.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 153.06 69.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 112.88 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -94.58 138.61 32.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.9 t -153.65 138.7 17.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 p -69.24 127.99 35.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.16 -131.54 1.3 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 88.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.4 t -93.59 -49.85 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.6 m -83.59 119.31 24.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.506 -179.966 . . . . . . . . 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 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -130.64 149.18 52.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -92.18 136.57 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.36 145.94 10.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -87.64 165.76 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -97.54 160.36 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.3 132.36 6.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -71.02 164.68 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' NE2' HG21 ' A' ' 16' ' ' THR . 22.1 tp60 -145.06 110.29 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.418 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.7 t -64.96 150.04 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.61 -30.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.524 HG23 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mp -55.38 -65.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.17 -37.99 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.418 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.54 28.0 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.67 175.29 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.474 HG21 ' NE2' ' A' ' 9' ' ' GLN . 2.1 p -142.48 133.97 26.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -150.89 143.51 24.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -79.44 -51.57 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.33 127.42 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.7 mmtt -63.14 -59.06 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -37.64 -47.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 m -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.23 -52.32 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -55.01 -37.77 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -71.45 -26.7 62.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -88.91 -15.75 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.5 -45.14 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -48.46 -32.03 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.34 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.524 ' CG ' HG23 ' A' ' 12' ' ' ILE . 12.1 m-70 -52.75 -43.92 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -44.29 -42.1 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -77.76 -40.25 41.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ALA . 85.7 m -59.84 -21.71 61.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 34.3 m -37.43 -29.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -59.8 -59.9 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -36.6 -61.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.462 ' HB3' ' N ' ' A' ' 48' ' ' PHE . 0.1 OUTLIER -52.51 121.96 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.622 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.02 -24.57 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.622 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 66.5 m-85 -99.4 101.99 14.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.428 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.1 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.49 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -104.51 110.62 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.22 2.41 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.51 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 3.4 m-85 -97.96 -52.9 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.84 -29.16 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.53 -4.2 19.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.521 ' NZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.8 mtpm? -52.01 -178.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 50.6 mtt-85 -147.34 138.75 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' CD1' HG22 ' A' ' 54' ' ' VAL . 1.8 m-85 -129.43 160.85 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.457 ' N ' HD11 ' A' ' 37' ' ' LEU . 0.7 OUTLIER -74.2 -11.91 60.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.913 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.55 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.2 ptpt -157.76 162.52 27.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.606 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.72 -40.42 5.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -37.46 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -79.37 -29.59 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.616 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.9 t -72.54 -36.33 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -37.32 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.55 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.574 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 3.4 t60 -55.69 -35.74 66.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.1 mtt180 -67.59 -22.56 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 52.6 m -93.15 -4.89 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -118.05 -24.54 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.631 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -118.03 -29.55 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.2 m-70 -118.0 29.35 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.74 -7.11 20.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.39 -19.69 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . 0.504 HD12 ' CA ' ' A' ' 62' ' ' HIS . 0.6 OUTLIER -87.88 -44.53 11.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 15.2 mt -42.21 -45.47 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.47 178.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' HA ' ' HD2' ' A' ' 69' ' ' PRO . . . -88.51 109.32 28.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.83 108.36 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.78 121.92 32.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -165.79 166.82 17.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t -102.87 127.87 49.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.9 p -145.87 161.22 40.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . 0.41 ' HA2' ' HD2' ' A' ' 75' ' ' PRO . . . -132.96 100.67 0.41 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . 0.41 ' HD2' ' HA2' ' A' ' 74' ' ' GLY . 54.5 Cg_endo -69.72 177.68 5.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -85.61 -60.15 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -149.73 161.29 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.473 -179.967 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 p -144.86 127.67 16.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -140.6 143.89 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.91 62.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -102.66 109.06 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -84.8 127.22 34.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.51 144.54 47.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.0 mt -81.07 155.87 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . 0.474 ' NE2' HG22 ' A' ' 16' ' ' THR . 30.5 tp60 -133.86 113.87 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' CYS . . . . . 0.435 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -67.64 150.06 49.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -100.03 -35.06 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.569 HG22 ' CE1' ' A' ' 30' ' ' HIS . 4.3 mp -46.58 -62.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 p -110.52 -38.04 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . 0.435 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 32.22 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.76 175.94 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.474 HG22 ' NE2' ' A' ' 9' ' ' GLN . 1.4 p -146.52 134.15 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -130.55 169.19 15.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -97.93 -53.8 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -89.73 140.54 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.421 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.36 -54.68 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.06 -48.18 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -43.71 -62.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' HIS . 14.3 tp -42.97 -62.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -44.26 -42.91 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 58.1 t-105 -62.46 -30.63 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.7 t60 -85.03 -48.75 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 63.8 mt-30 -56.34 -48.92 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.5 ptp180 -43.56 -33.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -61.07 -40.76 94.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' HIS . . . . . 0.569 ' CE1' HG22 ' A' ' 12' ' ' ILE . 57.6 m-70 -54.55 -47.65 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.45 -54.11 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.37 -34.56 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' THR . . . . . 0.49 ' CG2' ' HB2' ' A' ' 36' ' ' ALA . 2.3 m -130.06 102.0 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.49 HG21 ' N ' ' A' ' 35' ' ' ALA . 35.7 m -117.99 -32.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ALA . . . . . 0.49 ' N ' HG21 ' A' ' 34' ' ' VAL . . . -108.83 -37.98 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' ' CG2' ' A' ' 33' ' ' THR . . . -38.13 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.492 HD21 ' N ' ' A' ' 49' ' ' GLU . 10.7 mt -58.74 110.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ARG . . . . . 0.608 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.69 -22.1 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PHE . . . . . 0.608 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 42.1 m-85 -100.74 102.01 17.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.663 0.744 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.0 Cg_endo -69.78 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . 0.521 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 28.2 t -102.69 107.71 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.88 -0.97 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' PHE . . . . . 0.571 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.6 m-85 -92.86 -52.67 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.88 -36.3 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.2 -6.14 8.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.416 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 21.6 mtpt -52.06 -179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 38.3 mtp180 -145.92 130.79 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.634 ' CD1' HG22 ' A' ' 54' ' ' VAL . 3.2 m-85 -120.15 155.55 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' GLU . . . . . 0.492 ' N ' HD21 ' A' ' 37' ' ' LEU . 1.0 OUTLIER -67.26 -20.82 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -149.03 161.24 33.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.53 0.681 . . . . 0.0 110.917 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' PRO . . . . . 0.567 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.81 -42.84 3.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.88 -36.81 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 m -80.31 -29.08 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.634 HG22 ' CD1' ' A' ' 48' ' ' PHE . 1.8 t -70.89 -32.8 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.11 -40.14 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.77 -38.97 73.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' HIS . . . . . 0.544 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.7 t60 -57.89 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.566 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 37.7 mtt180 -73.76 -20.42 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.421 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 5.1 t -92.91 -5.38 50.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.443 ' C ' ' HD3' ' A' ' 63' ' ' PRO . 11.1 pttm -117.98 -35.11 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -105.69 -27.77 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.816 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -118.0 29.41 0.13 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.713 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.79 -12.76 33.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.77 -14.25 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.5 mt -91.73 -50.25 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -45.64 -41.75 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.44 173.75 12.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.46 125.74 82.91 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 124.07 10.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.397 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -113.0 113.8 25.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -147.57 107.48 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m -97.5 -55.79 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -58.08 -65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.58 141.53 12.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -16.21 37.22 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.29 103.27 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -80.35 -44.22 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.483 179.991 . . . . . . . . 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 -0.286 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.28 148.81 46.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 16' ' ' THR . 30.9 tp60 -127.88 126.04 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -78.42 150.34 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.9 -30.85 12.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.651 HG21 ' CG ' ' A' ' 30' ' ' HIS . 39.6 mm -54.6 -69.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.14 -39.81 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.9 31.92 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -80.32 174.45 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.492 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -144.06 132.04 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -141.27 148.78 40.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.4 mpt_? -79.42 -55.54 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -74.35 139.05 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -60.13 -47.35 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.9 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -43.51 -54.43 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.99 -55.69 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -53.46 -52.36 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.1 t60 -83.93 -17.61 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -90.42 -38.33 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -47.43 -34.98 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 6.3 pttt -72.59 -38.1 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.651 ' CG ' HG21 ' A' ' 12' ' ' ILE . 5.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.624 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -118.0 -31.05 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.9 m-85 -99.12 102.02 14.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.83 170.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.0 t -104.71 106.4 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 4.2 pm0 -66.69 -1.52 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -91.61 -51.66 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -117.93 -36.19 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.79 -8.87 8.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.425 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -51.96 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 40.6 mtt85 -148.91 143.62 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -132.0 156.0 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -17.75 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 2.0 pttm -154.12 162.71 26.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.8 -41.92 3.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.68 -35.45 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -83.32 -29.65 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -72.53 -29.23 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.79 -38.19 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.5 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.0 t-80 -53.24 -36.52 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 23.9 mtp180 -68.65 -20.35 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -92.4 -4.55 53.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -117.98 -31.25 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.61 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.4 t -110.98 -30.17 7.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.8 m-70 -117.96 32.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.75 -9.01 25.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 23' ' ' LEU . 11.6 mt -71.15 159.12 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.47 ' CD ' HG23 ' A' ' 16' ' ' THR . 2.0 tp-100 -142.17 108.71 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 t -59.0 148.34 31.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -99.21 -31.99 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -50.85 -63.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.58 -40.47 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 33.25 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.97 175.08 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -143.91 131.29 20.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -144.91 142.19 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -78.94 -47.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.55 127.87 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.54 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -51.8 -45.05 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 8' ' ' LEU . 13.8 tp -55.73 -52.07 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.09 -50.56 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.402 ' CE3' ' HD3' ' A' ' 28' ' ' ARG . 64.3 t-105 -63.79 -25.46 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 7.7 t60 -88.36 -18.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 77.3 mt-30 -87.33 -33.05 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.402 ' HD3' ' CE3' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -64.29 -33.49 75.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 5.0 pttp -63.93 -24.68 67.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.581 ' CG ' HG21 ' A' ' 12' ' ' ILE . 29.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.607 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.95 -32.12 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.5 m-85 -98.5 101.98 13.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.5 Cg_endo -69.69 171.21 14.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.4 t -106.03 106.24 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.0 -0.77 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 4.0 m-85 -92.31 -52.44 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -117.84 -36.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.65 -8.52 7.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.0 mtpt -52.05 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 32.7 mtt-85 -147.48 144.48 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.5 m-85 -133.58 150.3 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.71 -18.11 61.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -151.33 163.13 24.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.82 -48.57 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.288 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.25 -35.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -80.08 -31.08 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.24 -39.9 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.78 -40.68 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.32 -33.11 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.8 mtt180 -74.22 -20.5 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 38.3 t -92.2 -8.22 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.01 -26.83 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.624 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.5 t -111.52 -31.58 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.1 m-70 -117.98 32.12 0.17 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.1 Cg_endo -69.75 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 20' ' ' LYS . 14.7 mt -72.5 148.41 45.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -136.11 124.17 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -72.09 148.56 45.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 7.2 pt-20 -99.57 -33.12 10.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.877 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -48.03 -60.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.39 -37.94 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.14 38.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -88.71 177.01 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.06 133.72 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.21 137.88 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.07 -58.52 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.57 139.34 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' CD ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.67 -56.89 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.99 -52.73 2.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -49.79 -46.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.04 -55.74 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -47.67 -42.3 24.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -69.32 -27.12 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -85.35 -19.33 31.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.635 ' OE1' HD13 ' A' ' 12' ' ' ILE . 14.0 mm-40 -90.49 -40.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.42 -37.55 56.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.877 ' CG ' HG21 ' A' ' 12' ' ' ILE . 32.8 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.611 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.773 0.32 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -117.96 -31.31 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.8 m-85 -97.99 101.97 12.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.5 Cg_endo -69.77 171.66 14.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.8 t -104.81 109.94 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.46 1.37 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -95.9 -57.57 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.61 -33.76 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 121.26 -8.11 10.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.1 mtpp -52.07 -179.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 73.7 mtp85 -146.12 143.45 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' HB2' HG23 ' A' ' 54' ' ' VAL . 4.0 m-85 -131.6 153.83 49.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.0 pt-20 -61.03 -20.22 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.9 ptmt -155.3 165.08 19.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -42.2 -37.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 m -82.04 -29.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.5 -33.02 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.43 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.75 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -55.11 -33.88 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' HIS . 20.3 mtp180 -73.69 -19.11 60.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 18.2 t -92.72 -6.84 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -118.02 -31.35 5.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.598 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.9 m -108.25 -31.47 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.76 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.1 m-70 -118.08 33.75 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.76 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.5 Cg_endo -69.72 -16.19 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.46 160.59 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -136.9 118.66 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.43 149.05 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -98.48 -29.91 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.78 HG21 ' CG ' ' A' ' 30' ' ' HIS . 40.9 mm -56.12 -68.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.96 -41.13 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.47 29.76 2.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -78.52 175.02 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -137.63 132.52 33.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' CB ' ' A' ' 22' ' ' SER . 3.4 t -146.48 148.21 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -82.87 -58.01 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.73 144.77 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.3 mmtm -70.18 -57.58 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.61 -42.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.462 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 18.5 m -62.45 -56.53 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -46.67 -48.98 19.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.04 -54.37 47.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -62.66 -26.12 68.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.04 -15.75 49.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -91.17 -47.16 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -50.17 -36.77 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -40.2 82.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.78 ' CG ' HG21 ' A' ' 12' ' ' ILE . 31.5 m170 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 47' ' ' ARG . 5.4 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 m-85 -98.56 102.01 13.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.673 0.749 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.3 Cg_endo -69.81 170.7 16.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.347 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.5 t -105.65 106.91 17.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -0.6 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -93.23 -52.3 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.98 -35.77 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 124.65 -7.97 8.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' CYS . 20.3 mtpt -52.16 179.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.809 ' O ' HD13 ' A' ' 37' ' ' LEU . 68.4 mtm180 -145.91 138.66 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.652 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -126.89 156.18 41.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -12.62 61.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 ptpp? -157.14 159.98 30.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.77 -41.23 4.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -45.95 -37.8 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -30.91 41.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -69.25 -30.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.24 -37.54 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.3 t60 -56.35 -34.07 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' NH2' ' CG1' ' A' ' 54' ' ' VAL . 59.4 mtt180 -72.49 -20.39 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 40.7 t -92.57 -7.13 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -117.99 -26.93 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.646 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.7 m -112.99 -30.39 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.797 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -117.99 30.74 0.15 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -12.41 32.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.532 ' HB3' HD22 ' A' ' 23' ' ' LEU . 5.4 mt -73.63 164.12 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -145.12 138.73 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -85.88 151.36 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.19 -32.47 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.901 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.8 mp -51.09 -61.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.27 -39.23 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.17 35.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -85.77 -179.82 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.44 135.02 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.5 m -141.63 131.3 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -72.07 -42.74 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.45 125.42 34.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 13.8 tptt -50.01 -58.96 4.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -42.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -59.29 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 8' ' ' LEU . 14.3 tp -51.37 -59.67 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -52.57 -47.42 66.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -66.54 -26.45 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -80.37 -37.79 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -61.12 -57.7 11.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.64 -37.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -48.31 -44.57 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.901 ' CG ' HG21 ' A' ' 12' ' ' ILE . 84.8 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -29.55 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.4 m-85 -99.95 102.0 16.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.1 Cg_endo -69.8 174.27 9.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.309 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -106.11 106.43 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.58 -2.77 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 6.2 m-85 -91.2 -52.99 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.83 -31.46 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 118.75 -5.03 14.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' CYS . 12.7 mtpp -53.57 -179.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 49.8 mtt-85 -145.68 140.5 27.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG23 ' A' ' 54' ' ' VAL . 8.0 m-85 -128.7 156.61 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -70.88 -3.31 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 15.7 pttt -167.2 160.3 10.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.11 -35.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -83.5 -29.87 27.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.69 -32.04 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.95 -37.33 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.35 -38.89 55.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.476 ' CD2' ' HB2' ' A' ' 61' ' ' SER . 2.0 t-80 -53.07 -37.77 61.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 25.4 mtp180 -67.12 -20.56 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 2.4 t -92.52 -3.73 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -118.05 -30.75 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.651 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.3 m -112.68 -29.01 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.799 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.7 m-70 -117.99 30.28 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.799 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.72 -10.49 28.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.24 155.66 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.27 116.19 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 12' ' ' ILE . 42.6 t -62.93 116.08 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.04 8.25 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' CG ' ' A' ' 30' ' ' HIS . 36.6 mm -95.51 -53.36 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.63 -37.96 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.21 16.94 4.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.17 177.81 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -142.82 139.0 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.19 122.44 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 18' ' ' ARG . 23.4 mtt-85 -61.85 -46.74 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -73.17 137.5 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -70.95 -57.73 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.04 -42.35 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -57.77 -49.0 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.25 -54.7 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -51.07 -42.07 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 25' ' ' TRP . 4.8 t-105 -68.24 -27.11 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.78 -15.76 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.65 -36.13 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -55.47 -33.51 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 14.2 pttt -69.19 -35.35 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.736 ' CG ' HG21 ' A' ' 12' ' ' ILE . 16.1 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.62 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.45 -31.7 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.9 m-85 -99.47 102.1 15.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.8 171.57 14.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 14.7 t -105.95 105.66 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.4 -1.93 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.7 m-85 -90.7 -52.06 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.01 -36.12 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.55 -9.41 7.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.1 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 80.7 mtt85 -147.66 144.56 28.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.6 m-85 -132.69 152.81 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.35 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -153.59 162.8 25.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.841 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.59 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -44.98 -39.3 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -79.34 -28.18 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -73.1 -34.98 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -71.43 -38.21 71.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.63 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.427 ' CD2' ' HB2' ' A' ' 61' ' ' SER . 2.5 t-80 -55.29 -34.51 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.3 mtt180 -72.11 -20.86 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -92.18 -6.72 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -117.95 -25.18 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -115.76 -31.21 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.786 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.93 32.32 0.17 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.718 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.77 -15.54 37.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.27 151.9 39.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.497 ' NE2' HG23 ' A' ' 16' ' ' THR . 24.1 tp60 -133.43 116.83 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.1 t -71.89 149.54 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.4 -31.93 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.936 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -51.7 -62.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.29 -38.01 6.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.86 30.83 2.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -83.56 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.497 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.5 p -136.48 130.6 32.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -139.93 135.37 32.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -45.65 52.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.55 141.31 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -72.76 -52.26 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.67 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -61.37 -54.31 45.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -45.83 -50.86 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.09 -54.26 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.0 t-105 -63.64 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -82.64 -19.93 37.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -89.99 -37.86 14.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.86 -33.11 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -63.74 -38.49 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.936 ' CG ' HG21 ' A' ' 12' ' ' ILE . 28.4 m170 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -117.91 -30.02 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.6 m-85 -99.49 101.99 15.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.71 171.09 15.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.9 t -104.95 107.75 18.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -67.01 -0.84 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 5.6 m-85 -92.87 -51.71 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.91 -35.46 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.44 -8.38 8.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 15.3 mtpp -51.99 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 47.9 mtt-85 -147.38 143.41 27.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.4 m-85 -131.75 154.2 49.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.3 pt-20 -62.33 -18.98 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.6 ptpt -155.42 163.94 22.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.78 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.21 -37.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m -82.15 -30.18 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.92 -26.54 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.44 -38.4 49.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.89 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.11 -36.37 63.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' HIS . 10.5 mtp-105 -70.61 -20.31 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 4.3 m -93.51 -4.72 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.87 -33.33 4.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.613 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -107.88 -29.31 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.79 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.2 m-70 -118.01 31.87 0.17 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.79 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.75 -7.93 22.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 142.37 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.51 127.74 33.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -77.1 150.27 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -100.37 -32.56 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 mp -48.64 -59.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -110.57 -38.03 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 112.57 41.34 1.04 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -90.57 174.97 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.89 131.83 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -151.71 123.89 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -61.47 -44.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -71.95 119.62 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.0 -51.14 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.88 -49.72 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 m -52.46 -45.13 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.03 -59.96 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -47.21 -55.55 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -58.42 -25.59 62.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.42 -22.12 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -88.09 -41.3 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -46.5 -39.02 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 15.6 pttt -69.52 -38.28 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.628 ' CG ' HG21 ' A' ' 12' ' ' ILE . 6.7 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 48' ' ' PHE . 8.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -118.01 -30.57 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.2 m-85 -98.19 101.99 12.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.9 Cg_endo -69.75 172.53 12.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.6 t -107.26 105.76 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -65.88 -2.2 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.7 m-85 -91.11 -51.92 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.87 -36.05 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.06 -9.75 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.71 -179.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 30.2 mtt-85 -146.57 143.82 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.5 m-85 -132.11 146.24 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 1.3 pt-20 -54.86 -21.17 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -152.19 163.17 24.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -43.61 2.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -41.72 -39.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -79.97 -27.39 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -71.55 -32.49 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.78 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.48 -39.3 64.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -56.5 -34.38 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 38.5 mtt180 -73.33 -19.13 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 75.2 m -92.6 -7.54 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -118.02 -29.05 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.608 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 m -110.24 -31.35 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.77 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.99 33.03 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.77 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 9.5 mt -80.65 148.69 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -122.54 120.83 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.35 152.38 43.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.27 -32.84 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.703 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -55.62 -68.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.7 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.41 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.31 172.35 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.45 130.63 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HD13 ' A' ' 23' ' ' LEU . 29.8 p -143.22 132.95 23.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.37 69.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 156.36 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -79.7 -52.04 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.25 -54.16 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 p -43.56 -48.77 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 17' ' ' CYS . 12.1 tp -57.24 -52.77 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.29 -46.93 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 1.2 t-105 -67.88 -32.25 72.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.482 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.8 t60 -81.75 -17.99 45.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -88.64 -36.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -59.65 -30.94 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' ND1' ' A' ' 26' ' ' HIS . 13.0 pttp -73.43 -35.37 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.703 ' CG ' HG21 ' A' ' 12' ' ' ILE . 3.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 48' ' ' PHE . 3.8 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.98 -28.73 5.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.0 m-85 -97.78 101.98 12.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.76 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.4 t -105.88 106.86 17.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.91 -2.07 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 11.7 m-85 -91.8 -53.1 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.01 -31.91 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 120.16 -6.09 12.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' CYS . 6.0 mtpm? -52.12 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' O ' HD22 ' A' ' 37' ' ' LEU . 41.1 mtt180 -145.34 139.1 26.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.717 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.3 m-85 -129.35 147.99 51.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -57.49 -18.89 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.9 ptpt -155.19 163.58 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -42.85 3.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.55 -37.77 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -81.03 -27.34 35.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.02 -28.53 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.68 58.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.0 -37.67 58.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.505 ' CD2' ' HB2' ' A' ' 61' ' ' SER . 2.3 t-80 -54.51 -34.83 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 62' ' ' HIS . 35.8 mtp180 -70.4 -19.86 62.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.0 t -92.84 -5.91 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.05 -28.47 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -112.77 -30.24 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.5 m-70 -118.08 31.72 0.17 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.82 -12.57 33.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 23' ' ' LEU . 27.0 mt -75.86 160.92 29.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.828 0.346 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.506 ' NE2' HG23 ' A' ' 16' ' ' THR . 26.4 tp60 -141.56 113.89 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -71.13 149.77 46.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.75 -30.6 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.475 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.7 mp -51.51 -60.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -111.24 -38.01 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.44 37.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -84.53 175.09 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.506 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.3 p -144.82 132.0 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.439 ' SG ' HD12 ' A' ' 8' ' ' LEU . 14.6 p -140.73 146.6 37.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 2.1 mpt_? -83.07 -44.87 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -87.02 124.88 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 14.2 tptm -49.21 -51.12 34.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.31 -51.13 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -46.13 -45.05 16.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 8' ' ' LEU . 19.8 tp -54.74 -55.54 28.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -47.82 -48.71 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 3.7 t-105 -67.12 -26.42 66.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.08 -42.11 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -50.47 -35.94 31.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.05 -41.32 95.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CG ' HG21 ' A' ' 12' ' ' ILE . 20.7 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.654 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.04 -22.31 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 62.9 m-85 -100.21 101.26 13.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.72 166.18 28.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.4 t -101.35 108.52 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.95 0.83 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 10.3 m-85 -96.16 -59.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.6 -31.43 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 118.62 -5.23 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 29.5 mttp -52.12 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HD13 ' A' ' 37' ' ' LEU . 65.2 mtt180 -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.751 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.6 m-85 -127.34 156.44 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.09 -13.66 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 9.0 ptpt -158.55 161.94 27.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.63 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 54.5 Cg_endo -69.72 -41.02 4.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -35.78 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 m -83.28 -30.8 27.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.88 -28.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.17 -40.13 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.19 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.599 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -58.66 -32.7 69.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 62' ' ' HIS . 32.5 mtp180 -72.82 -20.34 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 9.3 t -92.82 -6.07 49.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -117.98 -30.56 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.599 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.8 m -109.92 -31.23 7.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.757 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -117.93 32.94 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.757 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -12.7 33.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 23' ' ' LEU . 18.1 mt -72.06 154.16 41.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.711 0.291 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 16' ' ' THR . 29.1 tp60 -135.7 114.8 12.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.3 t -69.68 147.41 50.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.83 -29.16 12.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.84 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.2 mp -52.98 -58.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.98 -37.96 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.33 35.28 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -88.71 177.05 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.501 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.8 p -141.28 133.9 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.97 141.37 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.75 -48.86 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.54 122.83 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -54.64 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.76 -45.3 58.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 m -53.48 -51.03 64.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 8' ' ' LEU . 22.0 tp -47.23 -59.1 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -45.62 -56.42 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -55.82 -27.96 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.49 -16.22 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.69 -46.58 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -45.81 -37.64 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -41.03 89.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.84 ' CG ' HG21 ' A' ' 12' ' ' ILE . 32.4 m170 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.694 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -117.98 -23.97 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -111.87 102.03 52.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.86 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.75 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.3 t -103.08 106.16 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 0.03 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.4 m-85 -93.09 -53.66 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.0 -32.26 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.33 -2.77 10.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.462 ' C ' ' HG3' ' A' ' 47' ' ' ARG . 13.6 mttm -51.97 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 59.4 mtm180 -150.8 138.67 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' HB2' HG23 ' A' ' 54' ' ' VAL . 13.6 m-85 -135.38 148.89 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.39 0.75 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 ptpp? -161.86 155.06 17.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 -42.66 3.18 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.78 -37.92 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.472 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 4.0 m -80.45 -30.5 37.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.7 t -70.76 -31.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.16 -36.23 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.41 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.9 t-80 -55.74 -38.14 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 40.7 mtp180 -66.67 -20.16 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 20.7 t -92.45 -4.24 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -117.93 -31.4 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 t -111.5 -28.89 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.808 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.96 29.86 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -8.09 22.71 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' THR . 4.0 mt -71.12 158.71 35.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -143.42 118.89 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -64.18 150.54 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -99.34 -35.09 10.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.932 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -48.6 -65.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.25 -41.05 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.07 32.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.542 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.73 176.98 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 8' ' ' LEU . 1.1 p -145.22 134.04 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.6 m -138.06 122.08 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -54.83 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.36 158.47 35.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -76.49 -59.98 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.75 -48.05 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 p -42.39 -57.7 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.41 -46.58 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -66.15 -22.78 66.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' ND1' ' CD ' ' A' ' 29' ' ' LYS . 1.8 t60 -90.21 -37.65 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -54.0 -17.19 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -77.74 -28.73 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.57 ' CD ' ' ND1' ' A' ' 26' ' ' HIS . 3.5 mtpm? -47.69 -53.95 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.932 ' CG ' HG21 ' A' ' 12' ' ' ILE . 30.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' A' ' 48' ' ' PHE . 5.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.777 0.323 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.97 -28.96 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.5 m-85 -99.22 101.96 14.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.7 Cg_endo -69.71 175.8 7.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -108.12 105.69 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.67 -1.53 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.9 m-85 -92.24 -53.02 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -118.0 -31.35 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 119.86 -7.27 12.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' CYS . 13.8 mtpt -52.32 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 81.5 mtt-85 -146.77 140.21 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.2 m-85 -128.51 152.38 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.37 -10.85 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -159.13 161.41 27.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.75 -43.93 2.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -42.93 -39.07 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -79.32 -29.06 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -71.65 -32.92 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.39 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.482 ' CD2' ' HB2' ' A' ' 61' ' ' SER . 2.5 t-80 -57.08 -35.17 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 53.8 mtt180 -72.9 -19.46 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 7.8 t -92.63 -7.67 46.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.99 -27.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.625 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.6 m -112.4 -30.57 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.787 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -118.06 31.85 0.17 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.76 -14.05 35.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.1 mt -71.3 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -156.57 128.51 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.1 151.47 40.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -98.33 -32.37 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.4 mp -53.59 -68.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.3 p -97.94 -44.08 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.86 35.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.87 173.66 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -147.23 132.68 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 1.2 m -151.63 138.65 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -69.6 -55.76 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -69.35 121.81 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 5.7 tptp -58.89 -66.68 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -33.1 -38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LYS . 35.4 m -74.29 -48.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -66.31 -55.32 16.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASN . . . . . 0.854 ' N ' HD13 ' A' ' 23' ' ' LEU . 27.2 m-20 -47.72 -48.35 29.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -59.08 -29.46 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -74.49 -51.67 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 6.7 mt-30 -45.82 -37.88 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.3 -24.64 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 3.8 ptpt -54.08 -29.66 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.778 ' CG ' HG21 ' A' ' 12' ' ' ILE . 94.0 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.619 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.0 -29.62 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 6.2 m-85 -98.79 101.96 13.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.73 170.43 16.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 10.6 t -105.96 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -67.6 -0.34 3.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.6 m-85 -92.51 -54.36 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.44 -32.25 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.9 -7.18 10.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mtpp -52.13 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 30.0 mtp180 -148.22 144.4 27.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.561 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -132.55 158.47 42.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.02 -18.98 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 4.7 ptpt -152.59 163.52 23.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.8 -39.58 6.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -35.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -82.24 -29.5 31.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.29 -33.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.58 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.84 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.449 ' CD2' ' HB2' ' A' ' 61' ' ' SER . 2.6 t-80 -54.58 -33.34 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 22.9 mtp180 -73.13 -20.34 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 10.1 t -92.49 -9.49 41.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -118.01 -22.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.582 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -115.04 -33.38 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.747 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.5 m-70 -118.04 34.28 0.2 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.85 -12.26 32.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.5 mt -81.07 138.22 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.732 0.301 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -113.73 130.11 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.72 151.66 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -98.62 -33.05 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.619 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -56.19 -70.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -97.96 -44.71 6.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.91 25.85 2.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.48 174.39 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.04 131.62 44.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.9 m -142.33 129.77 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.99 -64.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.15 134.38 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 19.8 tptm -54.74 -51.98 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.18 -59.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 m -49.08 -54.03 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 8' ' ' LEU . 16.4 tp -52.97 -51.08 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.63 -51.34 65.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -64.85 -24.87 67.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -84.11 -15.29 47.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.38 -54.85 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -47.11 -33.86 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -62.88 -38.34 90.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CG ' HG21 ' A' ' 12' ' ' ILE . 32.0 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.604 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.62 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -117.94 -29.27 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE1' ' HG3' ' A' ' 38' ' ' ARG . 59.2 m-85 -98.2 102.01 12.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.1 Cg_endo -69.78 170.06 17.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 13.3 t -105.01 110.36 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -69.78 1.8 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 21.6 m-85 -94.89 -52.78 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 -36.35 3.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.29 -8.04 7.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.2 mtpt -52.3 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 43.7 mtt180 -148.45 145.28 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -134.06 153.48 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.8 -19.5 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 2.6 pttt -153.6 164.26 21.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.79 -45.95 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -40.33 -38.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.5 m -80.68 -32.61 35.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -68.15 -31.19 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.47 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -35.83 62.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 1.7 t-80 -57.67 -34.43 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' CE1' ' A' ' 43' ' ' PHE . 48.0 mtp180 -67.55 -22.14 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -93.35 -4.45 51.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -117.01 -28.92 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -114.58 -28.02 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.8 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -118.01 29.81 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.8 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.74 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' CYS . 6.4 mt -70.83 155.23 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' A' ' 16' ' ' THR . 28.7 tp60 -137.97 109.38 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 4.2 t -63.71 149.29 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -99.71 -33.71 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -51.33 -61.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -105.53 -42.23 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 115.45 32.01 1.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -83.26 175.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.496 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -139.91 134.51 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.529 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.8 t -151.98 132.15 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -67.48 -57.64 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -72.62 124.01 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.6 tptm -59.12 -52.78 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.0 -58.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.1 m -55.21 -47.7 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -51.65 -46.69 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -55.01 -57.24 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -57.98 -26.63 62.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 5.3 t60 -78.82 -14.92 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' HIS . 57.0 mt-30 -92.87 -46.29 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -41.76 -38.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -63.93 -38.87 92.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.761 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.06 -26.49 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.663 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 61.5 m-85 -97.1 102.0 11.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.78 169.99 17.65 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.0 t -107.49 109.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.8 tp10 -64.47 -15.93 61.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 12.6 m-85 -77.02 -57.52 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.7 -35.78 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 122.02 -6.0 10.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 19.1 mtpp -52.04 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 80.0 mtt180 -144.39 140.36 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 54' ' ' VAL . 7.3 m-85 -129.43 157.67 41.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.9 pt-20 -69.05 -12.15 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.7 pttm -161.04 162.7 21.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 -42.33 3.5 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.85 -34.05 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -84.95 -29.62 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.04 -28.66 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.81 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.0 -39.23 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.1 t60 -52.14 -37.56 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.2 mtp180 -68.05 -18.96 64.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 8.2 t -92.51 -4.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -118.0 -33.63 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.7 m -109.35 -27.97 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.806 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.3 m-70 -118.0 29.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.806 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.78 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.083 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 16' ' ' THR . 25.8 tp60 -122.17 121.51 37.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.01 148.38 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -98.28 -31.21 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.7 mm -55.82 -70.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.58 -42.63 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.23 24.75 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.21 175.98 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.508 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -139.83 133.82 30.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.95 137.59 22.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -70.37 -55.38 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.41 152.25 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -74.98 -51.08 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.43 -50.84 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -62.21 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.9 -42.91 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.5 -58.19 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -55.45 -23.36 25.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 4.8 t60 -82.97 -18.17 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.41 -46.14 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -43.1 -39.47 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -60.39 -38.71 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.722 ' CG ' HG21 ' A' ' 12' ' ' ILE . 21.1 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.718 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.659 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.93 -24.79 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.659 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 60.7 m-85 -98.44 101.96 13.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.698 0.761 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.72 167.63 23.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 12.9 t -104.03 108.16 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.77 -1.1 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 19.1 m-85 -93.03 -56.26 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.34 -30.82 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.97 -6.29 15.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 17.9 mtpt -52.03 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.461 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 28.4 mtt-85 -145.83 137.87 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' VAL . 6.7 m-85 -126.77 158.05 37.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.15 -9.01 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.8 pttm -163.33 162.48 17.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.79 -44.53 2.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -42.84 -34.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -84.01 -31.79 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.95 -29.22 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.24 54.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.21 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.429 ' CD2' ' HB2' ' A' ' 61' ' ' SER . 1.9 t-80 -54.15 -35.26 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' HIS . 12.2 mtp-105 -68.12 -21.33 64.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.9 t -92.97 -5.3 51.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -117.99 -26.21 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 t -116.36 -29.1 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.99 29.16 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.2 mt -70.89 146.03 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -132.77 130.74 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -78.27 152.47 32.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.75 -34.87 9.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.715 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.0 mp -48.03 -61.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.48 -38.74 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.93 38.8 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -89.79 177.37 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.26 132.65 20.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.23 145.58 39.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -75.28 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -73.81 133.95 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 10.6 tttm -61.47 -54.55 41.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.89 -52.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -49.89 -44.46 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.19 -46.12 86.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.44 -53.92 47.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.5 t-105 -53.4 -28.24 28.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 8.9 t60 -85.34 -15.45 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -91.85 -40.11 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 23.7 ptt85 -50.73 -35.3 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 pttm -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.715 ' CG ' HG21 ' A' ' 12' ' ' ILE . 4.2 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 1.1 mpt_? -117.08 -31.61 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.2 m-85 -98.09 102.02 12.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.8 Cg_endo -69.73 172.67 12.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -105.65 107.18 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.06 0.02 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -92.97 -52.83 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.04 -37.41 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 128.85 -9.04 6.4 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' CYS . 34.5 mtpt -52.09 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 58.3 mtp85 -149.06 149.37 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.636 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.1 m-85 -138.3 152.98 49.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.6 pt-20 -60.72 -25.67 66.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -146.62 163.82 27.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 -43.49 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -43.51 -37.19 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.6 m -81.62 -29.24 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.5 t -70.79 -35.6 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.17 70.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.16 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 2.8 t-80 -58.15 -34.5 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 41.3 mtt180 -75.65 -18.83 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 34.8 t -93.09 -11.81 32.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -117.96 -23.26 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.673 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -112.48 -29.92 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.826 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.1 m-70 -118.02 28.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.848 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.26 146.45 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -136.45 117.6 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.8 t -68.8 148.36 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.76 -32.71 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.587 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -48.71 -60.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -107.25 -37.68 6.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.27 37.38 1.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -91.38 174.82 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.55 132.25 25.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 23' ' ' LEU . 18.8 p -138.39 156.54 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -90.99 -55.83 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -77.96 126.89 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.27 -48.38 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.92 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -43.83 -44.33 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD13 ' SG ' ' A' ' 17' ' ' CYS . 8.4 tp -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.86 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -73.82 -24.25 59.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.0 t60 -88.18 -22.67 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 61.1 mt-30 -90.55 -41.6 11.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 36.4 ptt85 -40.56 -36.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -71.32 -39.05 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 48' ' ' PHE . 6.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.89 -20.75 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE2' ' HD3' ' A' ' 51' ' ' PRO . 51.5 m-85 -101.62 100.08 13.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.79 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 42.8 t -101.83 110.25 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.8 0.61 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.603 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 2.3 m-85 -95.36 -53.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -116.98 -34.72 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 123.08 -6.61 9.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 40.6 mtpt -51.98 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' HD13 ' A' ' 37' ' ' LEU . 49.3 mtm180 -145.01 138.41 26.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.642 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.1 m-85 -127.55 147.86 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.6 pttp -161.65 161.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.629 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.72 -42.62 3.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -43.18 -36.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -82.42 -29.63 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.618 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -71.87 -27.08 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.17 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.95 59.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.7 t60 -56.53 -38.82 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 15.0 mtm180 -71.49 -20.47 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 6.1 t -92.44 -7.37 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -117.97 -27.41 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.633 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.5 m -112.71 -30.33 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.791 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.98 30.84 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 16' ' ' THR . 9.3 mt -71.02 164.68 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.43 ' OE1' HG23 ' A' ' 16' ' ' THR . 1.4 tp-100 -145.06 110.29 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.7 t -64.96 150.04 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.61 -30.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.811 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mp -55.38 -65.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.17 -37.99 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.54 28.0 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.67 175.29 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 8' ' ' LEU . 2.1 p -142.48 133.97 26.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -150.89 143.51 24.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -79.44 -51.57 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.33 127.42 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.7 mmtt -63.14 -59.06 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -37.64 -47.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 m -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.23 -52.32 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -55.01 -37.77 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -71.45 -26.7 62.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -88.91 -15.75 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.5 -45.14 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -48.46 -32.03 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.34 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.811 ' CG ' HG21 ' A' ' 12' ' ' ILE . 28.0 m170 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.02 -24.57 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 66.5 m-85 -99.4 101.99 14.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.1 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -104.51 110.62 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.22 2.41 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 3.4 m-85 -97.96 -52.9 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.84 -29.16 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.53 -4.2 19.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.511 ' NZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.8 mtpm? -52.01 -178.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 50.6 mtt-85 -147.34 138.75 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -129.43 160.85 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -11.91 60.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.2 ptpt -157.76 162.52 27.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.72 -40.42 5.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -37.46 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -79.37 -29.59 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -72.54 -36.33 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -37.32 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.55 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 3.4 t60 -55.69 -35.74 66.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.1 mtt180 -67.59 -22.56 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 52.6 m -93.15 -4.89 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -118.05 -24.54 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.664 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -118.03 -29.55 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.2 m-70 -118.0 29.35 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.74 -7.11 20.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 20' ' ' LYS . 6.0 mt -81.07 155.87 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.44 ' NE2' ' CG2' ' A' ' 16' ' ' THR . 3.0 tp-100 -133.86 113.87 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -67.64 150.06 49.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -100.03 -35.06 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.916 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -46.58 -62.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 p -110.52 -38.04 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 32.22 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.76 175.94 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.44 ' CG2' ' NE2' ' A' ' 9' ' ' GLN . 1.4 p -146.52 134.15 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -130.55 169.19 15.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -97.93 -53.8 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -89.73 140.54 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.36 -54.68 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.06 -48.18 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -43.71 -62.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' HIS . 14.3 tp -42.97 -62.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -44.26 -42.91 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' TRP . . . . . 0.403 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 58.1 t-105 -62.46 -30.63 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.7 t60 -85.03 -48.75 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' HD13 ' A' ' 12' ' ' ILE . 63.8 mt-30 -56.34 -48.92 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 25' ' ' TRP . 15.5 ptp180 -43.56 -33.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -61.07 -40.76 94.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' HIS . . . . . 0.916 ' CG ' HG21 ' A' ' 12' ' ' ILE . 57.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.745 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.7 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.69 -22.1 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 42.1 m-85 -100.74 102.01 17.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.663 0.744 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.0 Cg_endo -69.78 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 28.2 t -102.69 107.71 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.88 -0.97 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.6 m-85 -92.86 -52.67 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.88 -36.3 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 125.2 -6.14 8.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 21.6 mtpt -52.06 -179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 37' ' ' LEU . 38.3 mtp180 -145.92 130.79 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.2 m-85 -120.15 155.55 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.26 -20.82 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -149.03 161.24 33.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.53 0.681 . . . . 0.0 110.917 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.81 -42.84 3.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.88 -36.81 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 m -80.31 -29.08 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.89 -32.8 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.11 -40.14 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.77 -38.97 73.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.7 t60 -57.89 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 37.7 mtt180 -73.76 -20.42 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 5.1 t -92.91 -5.38 50.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 63' ' ' PRO . 11.1 pttm -117.98 -35.11 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -105.69 -27.77 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.816 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -118.0 29.41 0.13 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.713 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.79 -12.76 33.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.835 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -91.5 122.57 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -89.76 144.92 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.15 -111.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -78.97 138.14 37.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -86.66 -57.99 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.82 154.31 23.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.28 148.81 46.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 16' ' ' THR . 30.9 tp60 -127.88 126.04 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -78.42 150.34 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.9 -30.85 12.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.651 HG21 ' CG ' ' A' ' 30' ' ' HIS . 39.6 mm -54.6 -69.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.14 -39.81 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.9 31.92 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -80.32 174.45 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.492 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -144.06 132.04 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -141.27 148.78 40.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.4 mpt_? -79.42 -55.54 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -74.35 139.05 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -60.13 -47.35 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.9 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -43.51 -54.43 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.99 -55.69 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -53.46 -52.36 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.1 t60 -83.93 -17.61 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -90.42 -38.33 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -47.43 -34.98 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 6.3 pttt -72.59 -38.1 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.798 ' O ' HG13 ' A' ' 34' ' ' VAL . 5.2 m-70 -53.88 -39.75 66.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.653 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -53.47 -37.54 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 33' ' ' THR . 3.5 pt-20 -88.28 -32.32 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.482 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 24.9 m -66.18 -38.37 87.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 30' ' ' HIS . 27.3 m -39.8 -35.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.2 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -43.43 -63.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.737 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.59 125.09 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.2 mpt_? -118.0 -31.05 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.9 m-85 -99.12 102.02 14.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.83 170.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.0 t -104.71 106.4 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 4.2 pm0 -66.69 -1.52 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -91.61 -51.66 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -117.93 -36.19 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.79 -8.87 8.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.425 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -51.96 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 40.6 mtt85 -148.91 143.62 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -132.0 156.0 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -17.75 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 2.0 pttm -154.12 162.71 26.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.8 -41.92 3.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.68 -35.45 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -83.32 -29.65 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -72.53 -29.23 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.79 -38.19 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.5 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 6.0 t60 -53.24 -36.52 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 23.9 mtp180 -68.65 -20.35 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -92.4 -4.55 53.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -117.98 -31.25 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.61 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.4 t -110.98 -30.17 7.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.8 m-70 -117.96 32.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.75 -9.01 25.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.2 -11.54 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.2 mt -95.16 -46.52 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 63' ' ' PRO . 5.8 mt -48.14 -50.02 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.4 162.88 3.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.66 129.91 87.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 111.088 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.74 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 5.7 pm0 -56.22 175.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 72' ' ' SER . 4.4 pm0 -42.63 -41.43 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.448 ' N ' ' HG2' ' A' ' 71' ' ' GLU . 72.5 m -67.13 107.65 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -61.03 175.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -155.64 159.32 29.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.45 2.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 p -103.0 132.75 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -112.97 120.61 41.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.451 -179.983 . . . . . . . . 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 -0.348 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -74.43 -44.02 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 52.05 39.55 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.35 50.77 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -140.2 113.1 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -125.69 125.32 42.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.83 146.68 14.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 23' ' ' LEU . 11.6 mt -71.15 159.12 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.47 ' CD ' HG23 ' A' ' 16' ' ' THR . 2.0 tp-100 -142.17 108.71 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 t -59.0 148.34 31.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -99.21 -31.99 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -50.85 -63.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.58 -40.47 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.409 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 33.25 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.97 175.08 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.47 HG23 ' CD ' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -143.91 131.29 20.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -144.91 142.19 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -78.94 -47.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.55 127.87 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.54 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -51.8 -45.05 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 8' ' ' LEU . 13.8 tp -55.73 -52.07 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.09 -50.56 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.402 ' CE3' ' HD3' ' A' ' 28' ' ' ARG . 64.3 t-105 -63.79 -25.46 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 7.7 t60 -88.36 -18.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 77.3 mt-30 -87.33 -33.05 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.402 ' HD3' ' CE3' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -64.29 -33.49 75.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 5.0 pttp -63.93 -24.68 67.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.748 ' O ' HG13 ' A' ' 34' ' ' VAL . 29.9 m-70 -70.25 -23.85 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.661 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -75.3 -30.1 60.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.8 pt-20 -88.62 -33.92 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' HD22 ' A' ' 37' ' ' LEU . 1.3 t -63.37 -31.69 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 30' ' ' HIS . 34.0 m -45.86 -36.05 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.12 -52.55 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -57.38 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.25 129.06 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.3 mpt_? -117.95 -32.12 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.5 m-85 -98.5 101.98 13.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.5 Cg_endo -69.69 171.21 14.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.4 t -106.03 106.24 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.0 -0.77 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 4.0 m-85 -92.31 -52.44 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -117.84 -36.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.65 -8.52 7.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.0 mtpt -52.05 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 32.7 mtt-85 -147.48 144.48 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.5 m-85 -133.58 150.3 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.71 -18.11 61.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -151.33 163.13 24.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.82 -48.57 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.288 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.25 -35.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -80.08 -31.08 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.24 -39.9 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.78 -40.68 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.32 -33.11 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.8 mtt180 -74.22 -20.5 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 38.3 t -92.2 -8.22 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.01 -26.83 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.624 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.5 t -111.52 -31.58 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.1 m-70 -117.98 32.12 0.17 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.1 Cg_endo -69.75 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.79 -10.82 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.94 -52.92 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mt -42.28 -51.18 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.73 175.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.72 118.66 40.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.26 20.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -82.45 -48.15 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.95 151.6 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 t -66.22 122.47 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -136.0 136.62 40.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.34 156.74 48.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -34.11 15.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -138.34 158.81 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.6 t -91.65 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.448 -179.963 . . . . . . . . 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 1.452 -0.296 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -57.1 137.18 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -125.59 114.94 19.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.39 -48.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -91.96 116.52 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -64.0 127.91 33.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.37 135.55 27.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 20' ' ' LYS . 14.7 mt -72.5 148.41 45.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -136.11 124.17 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -72.09 148.56 45.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 7.2 pt-20 -99.57 -33.12 10.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.877 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -48.03 -60.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.39 -37.94 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.14 38.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -88.71 177.01 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.06 133.72 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.21 137.88 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.07 -58.52 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.57 139.34 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' CD ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.67 -56.89 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.99 -52.73 2.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -49.79 -46.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.04 -55.74 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -47.67 -42.3 24.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -69.32 -27.12 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -85.35 -19.33 31.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.635 ' OE1' HD13 ' A' ' 12' ' ' ILE . 14.0 mm-40 -90.49 -40.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.42 -37.55 56.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.877 ' CG ' HG21 ' A' ' 12' ' ' ILE . 32.8 m-70 -52.88 -44.58 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.36 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -95.2 -42.73 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -57.86 -42.35 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 30' ' ' HIS . 34.9 m -37.82 -34.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.39 -42.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -50.27 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.749 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.83 125.82 18.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -117.96 -31.31 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.8 m-85 -97.99 101.97 12.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.5 Cg_endo -69.77 171.66 14.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.8 t -104.81 109.94 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.46 1.37 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -95.9 -57.57 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.61 -33.76 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 121.26 -8.11 10.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.1 mtpp -52.07 -179.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 73.7 mtp85 -146.12 143.45 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' HB2' HG23 ' A' ' 54' ' ' VAL . 4.0 m-85 -131.6 153.83 49.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.0 pt-20 -61.03 -20.22 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.9 ptmt -155.3 165.08 19.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -42.2 -37.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 m -82.04 -29.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.5 -33.02 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.43 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.75 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -55.11 -33.88 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' HIS . 20.3 mtp180 -73.69 -19.11 60.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 18.2 t -92.72 -6.84 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -118.02 -31.35 5.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.598 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.9 m -108.25 -31.47 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.76 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.1 m-70 -118.08 33.75 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.76 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.5 Cg_endo -69.72 -16.19 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 -11.95 34.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.5 mt -96.43 -52.84 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 58' ' ' ARG . 16.0 mt -40.75 -50.91 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.36 174.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.68 124.72 89.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -109.41 111.01 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -143.54 125.77 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.3 t -49.49 -46.62 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.1 p -163.13 153.77 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.1 121.15 5.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 179.84 3.45 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.1 p -149.69 170.38 18.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.8 p -94.66 -43.62 8.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.464 -179.975 . . . . . . . . 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 -0.344 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 p -113.23 162.4 16.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -145.68 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.56 141.16 3.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -63.4 130.2 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -69.93 -47.98 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.79 156.5 11.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.46 160.59 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -136.9 118.66 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.43 149.05 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -98.48 -29.91 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.78 HG21 ' CG ' ' A' ' 30' ' ' HIS . 40.9 mm -56.12 -68.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.96 -41.13 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.47 29.76 2.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -78.52 175.02 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 p -137.63 132.52 33.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' CB ' ' A' ' 22' ' ' SER . 3.4 t -146.48 148.21 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -82.87 -58.01 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.73 144.77 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.3 mmtm -70.18 -57.58 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.61 -42.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.462 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 18.5 m -62.45 -56.53 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -46.67 -48.98 19.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -58.04 -54.37 47.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -62.66 -26.12 68.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.04 -15.75 49.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -91.17 -47.16 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -50.17 -36.77 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -40.2 82.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.78 ' CG ' HG21 ' A' ' 12' ' ' ILE . 35.4 m-70 -51.34 -45.8 62.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.16 -27.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -95.39 -38.99 10.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.6 m -61.77 -36.42 81.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 30' ' ' HIS . 35.4 m -34.13 -36.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -56.15 -50.29 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -49.42 -40.14 35.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 47' ' ' ARG . 5.4 mt -68.29 114.6 6.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 m-85 -98.56 102.01 13.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.673 0.749 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.3 Cg_endo -69.81 170.7 16.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.347 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.5 t -105.65 106.91 17.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -0.6 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -93.23 -52.3 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.98 -35.77 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 124.65 -7.97 8.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' CYS . 20.3 mtpt -52.16 179.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.809 ' O ' HD13 ' A' ' 37' ' ' LEU . 68.4 mtm180 -145.91 138.66 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.652 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -126.89 156.18 41.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -12.62 61.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 ptpp? -157.14 159.98 30.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.77 -41.23 4.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -45.95 -37.8 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -30.91 41.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -69.25 -30.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.24 -37.54 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.3 t60 -56.35 -34.07 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' NH2' ' CG1' ' A' ' 54' ' ' VAL . 59.4 mtt180 -72.49 -20.39 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 40.7 t -92.57 -7.13 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -117.99 -26.93 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.646 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.7 m -112.99 -30.39 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.797 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -117.99 30.74 0.15 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -12.41 32.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.13 -10.85 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -93.74 -50.27 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 63' ' ' PRO . 6.6 mt -44.56 -50.25 9.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 3.9 tp -57.96 150.91 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -59.0 159.53 13.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.064 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.1 Cg_endo -69.8 84.42 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -97.1 -53.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -116.52 17.53 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' SER . 6.5 t -55.39 -49.91 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' SER . 83.2 p -37.9 -51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.28 -177.89 13.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 131.51 21.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 p -111.59 154.37 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -51.62 -47.19 63.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.438 179.967 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t 63.3 42.24 7.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -108.45 158.17 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.82 77.32 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -103.2 132.44 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -40.13 -55.41 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 145.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' HB3' HD22 ' A' ' 23' ' ' LEU . 5.4 mt -73.63 164.12 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -145.12 138.73 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -85.88 151.36 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.19 -32.47 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.901 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.8 mp -51.09 -61.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.27 -39.23 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.17 35.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -85.77 -179.82 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.44 135.02 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.5 m -141.63 131.3 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -72.07 -42.74 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.45 125.42 34.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 13.8 tptt -50.01 -58.96 4.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -42.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -59.29 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 8' ' ' LEU . 14.3 tp -51.37 -59.67 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -52.57 -47.42 66.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -66.54 -26.45 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -80.37 -37.79 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -61.12 -57.7 11.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.64 -37.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -48.31 -44.57 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.901 ' CG ' HG21 ' A' ' 12' ' ' ILE . 84.8 m-70 -58.38 -37.43 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -35.2 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 33' ' ' THR . 6.3 pt-20 -90.2 -34.27 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 21.4 m -66.37 -50.28 64.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.831 HG13 ' O ' ' A' ' 30' ' ' HIS . 28.7 m -34.87 -37.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -43.64 -63.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -38.02 -47.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -86.59 127.75 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -117.99 -29.55 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.4 m-85 -99.95 102.0 16.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.1 Cg_endo -69.8 174.27 9.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.309 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -106.11 106.43 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.58 -2.77 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 6.2 m-85 -91.2 -52.99 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.83 -31.46 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 118.75 -5.03 14.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' CYS . 12.7 mtpp -53.57 -179.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 49.8 mtt-85 -145.68 140.5 27.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG23 ' A' ' 54' ' ' VAL . 8.0 m-85 -128.7 156.61 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -70.88 -3.31 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 15.7 pttt -167.2 160.3 10.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.11 -35.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -83.5 -29.87 27.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.69 -32.04 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.95 -37.33 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.35 -38.89 55.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.2 t60 -53.07 -37.77 61.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 25.4 mtp180 -67.12 -20.56 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 2.4 t -92.52 -3.73 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -118.05 -30.75 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.651 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.3 m -112.68 -29.01 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.799 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.7 m-70 -117.99 30.28 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.799 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.72 -10.49 28.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.18 -14.31 24.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' LEU . 65.3 mt -93.32 -55.7 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 63' ' ' PRO . 6.3 mt -37.23 -42.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 4.2 tp -64.43 151.01 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.484 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -56.97 143.42 71.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.058 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.51 60.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -109.6 129.28 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.27 111.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -151.94 161.02 43.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.9 p -102.0 111.03 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 75' ' ' PRO . . . -133.35 114.26 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 74' ' ' GLY . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.8 p -90.73 138.38 31.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -53.89 -58.64 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.451 179.986 . . . . . . . . 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 -0.326 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -99.64 168.7 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -154.59 129.36 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.75 43.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -155.12 137.37 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -156.67 125.83 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.93 140.02 14.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.24 155.66 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 3.0 tp-100 -128.27 116.19 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.876 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 12' ' ' ILE . 42.6 t -62.93 116.08 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.04 8.25 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' CG ' ' A' ' 30' ' ' HIS . 36.6 mm -95.51 -53.36 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.63 -37.96 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.21 16.94 4.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.17 177.81 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.2 p -142.82 139.0 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.19 122.44 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 18' ' ' ARG . 23.4 mtt-85 -61.85 -46.74 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -73.17 137.5 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -70.95 -57.73 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.04 -42.35 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -57.77 -49.0 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.25 -54.7 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 31.3 m120 -51.07 -42.07 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 25' ' ' TRP . 4.8 t-105 -68.24 -27.11 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.78 -15.76 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.65 -36.13 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -55.47 -33.51 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 14.2 pttt -69.19 -35.35 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.736 ' CG ' HG21 ' A' ' 12' ' ' ILE . 16.1 m-70 -55.27 -40.15 70.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -58.82 -35.49 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.24 -36.38 24.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.2 m -66.38 -50.61 62.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 30' ' ' HIS . 28.7 m -43.29 -36.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.52 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -42.16 -64.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.755 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.17 128.0 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -117.45 -31.7 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.9 m-85 -99.47 102.1 15.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.8 171.57 14.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 14.7 t -105.95 105.66 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.4 -1.93 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.7 m-85 -90.7 -52.06 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.01 -36.12 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.55 -9.41 7.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.1 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 80.7 mtt85 -147.66 144.56 28.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.6 m-85 -132.69 152.81 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.35 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -153.59 162.8 25.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.841 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.59 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -44.98 -39.3 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -79.34 -28.18 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -73.1 -34.98 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -71.43 -38.21 71.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.63 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.8 t60 -55.29 -34.51 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.3 mtt180 -72.11 -20.86 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -92.18 -6.72 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -117.95 -25.18 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -115.76 -31.21 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.786 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.93 32.32 0.17 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.718 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.77 -15.54 37.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.28 -14.7 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LEU . 93.4 mt -91.35 -48.83 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 63' ' ' PRO . 10.3 mt -35.76 -41.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.16 177.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 70' ' ' GLN . . . -68.25 141.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.76 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 68' ' ' ALA . 23.0 tt0 -45.88 -49.96 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -137.65 112.09 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -133.32 174.85 9.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.6 m -148.16 118.91 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.69 161.72 34.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.68 59.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.0 m -81.91 147.58 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t 63.01 41.58 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.5 -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 -0.301 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -98.5 108.31 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -97.26 131.39 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.29 -145.73 1.03 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -77.06 166.21 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -49.71 -51.42 38.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.87 139.78 1.37 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.27 151.9 39.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.497 ' NE2' HG23 ' A' ' 16' ' ' THR . 24.1 tp60 -133.43 116.83 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.1 t -71.89 149.54 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.4 -31.93 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.936 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -51.7 -62.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.29 -38.01 6.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.86 30.83 2.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -83.56 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.497 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.5 p -136.48 130.6 32.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -139.93 135.37 32.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -45.65 52.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.55 141.31 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -72.76 -52.26 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.67 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -61.37 -54.31 45.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -45.83 -50.86 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.09 -54.26 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.0 t-105 -63.64 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -82.64 -19.93 37.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -89.99 -37.86 14.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.86 -33.11 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -63.74 -38.49 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.936 ' CG ' HG21 ' A' ' 12' ' ' ILE . 34.0 m-70 -52.04 -39.47 59.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.85 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 33' ' ' THR . 8.9 pt-20 -81.27 -40.06 24.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 92.0 m -44.95 -50.99 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' ALA . 84.7 t -36.44 -56.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' VAL . . . -34.54 -46.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -53.76 -68.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.16 123.72 11.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mpt_? -117.91 -30.02 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.6 m-85 -99.49 101.99 15.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.71 171.09 15.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.9 t -104.95 107.75 18.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -67.01 -0.84 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 5.6 m-85 -92.87 -51.71 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.91 -35.46 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.44 -8.38 8.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 15.3 mtpp -51.99 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 47.9 mtt-85 -147.38 143.41 27.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.4 m-85 -131.75 154.2 49.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.3 pt-20 -62.33 -18.98 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.6 ptpt -155.42 163.94 22.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.78 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.21 -37.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m -82.15 -30.18 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.92 -26.54 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.44 -38.4 49.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.89 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.11 -36.37 63.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.639 ' O ' HD11 ' A' ' 66' ' ' LEU . 10.5 mtp-105 -70.61 -20.31 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 4.3 m -93.51 -4.72 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.87 -33.33 4.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.613 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -107.88 -29.31 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.79 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.2 m-70 -118.01 31.87 0.17 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.79 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.75 -7.93 22.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.8 -11.62 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.502 HD12 ' HD1' ' A' ' 62' ' ' HIS . 27.9 mt -97.34 -53.45 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.639 HD11 ' O ' ' A' ' 58' ' ' ARG . 9.7 mt -36.71 -43.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 168.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -61.69 161.68 19.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.598 0.714 . . . . 0.0 111.085 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.596 2.197 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HG2' ' OE1' ' A' ' 71' ' ' GLU . 18.6 pt20 -39.87 -44.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 1.6 pm0 -76.17 117.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 t -75.35 155.11 36.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 p -67.57 170.82 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.51 -116.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -36.89 9.88 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 p -55.66 122.4 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.9 m -101.45 145.49 28.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.448 -179.986 . . . . . . . . 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 -0.329 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -114.31 119.58 37.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -127.46 144.5 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.61 51.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -130.56 177.49 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.901 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -79.47 113.58 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.95 139.68 2.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 142.37 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 6.7 tt0 -133.51 127.74 33.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -77.1 150.27 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -100.37 -32.56 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 mp -48.64 -59.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -110.57 -38.03 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 112.57 41.34 1.04 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -90.57 174.97 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.89 131.83 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -151.71 123.89 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -61.47 -44.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -71.95 119.62 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.0 -51.14 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.88 -49.72 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 m -52.46 -45.13 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.03 -59.96 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -47.21 -55.55 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -58.42 -25.59 62.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.42 -22.12 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -88.09 -41.3 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -46.5 -39.02 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 15.6 pttt -69.52 -38.28 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.694 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.7 m-70 -56.18 -39.7 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -54.29 -46.04 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 33' ' ' THR . 11.0 pt-20 -78.64 -37.32 42.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 85.3 m -62.85 -61.21 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 30' ' ' HIS . 26.9 m -32.17 -37.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -75.39 -60.28 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -34.49 -39.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 48' ' ' PHE . 8.2 mt -59.17 120.78 9.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -118.01 -30.57 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.2 m-85 -98.19 101.99 12.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.9 Cg_endo -69.75 172.53 12.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.6 t -107.26 105.76 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -65.88 -2.2 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.7 m-85 -91.11 -51.92 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.87 -36.05 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.06 -9.75 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.71 -179.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 30.2 mtt-85 -146.57 143.82 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.5 m-85 -132.11 146.24 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 1.3 pt-20 -54.86 -21.17 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -152.19 163.17 24.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -43.61 2.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -41.72 -39.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -79.97 -27.39 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -71.55 -32.49 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.78 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.48 -39.3 64.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -56.5 -34.38 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 38.5 mtt180 -73.33 -19.13 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 75.2 m -92.6 -7.54 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -118.02 -29.05 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.608 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 m -110.24 -31.35 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.77 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.99 33.03 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.77 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.21 -10.19 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 66' ' ' LEU . 85.2 mt -95.44 -50.57 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 63' ' ' PRO . 10.8 mt -36.34 -41.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -52.31 151.9 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.96 150.02 8.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.136 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 80.14 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.37 -38.34 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.75 36.7 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -65.88 -47.37 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.9 p -103.08 157.61 16.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.61 89.51 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.12 32.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -43.42 -42.63 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -58.77 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.502 -179.961 . . . . . . . . 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 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.34 163.8 33.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -68.38 -62.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.58 117.63 6.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -87.35 -48.37 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -152.65 131.44 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.39 152.81 10.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 9.5 mt -80.65 148.69 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.2 tp-100 -122.54 120.83 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.35 152.38 43.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.27 -32.84 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.703 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -55.62 -68.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.7 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.41 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.31 172.35 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -134.45 130.63 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HD13 ' A' ' 23' ' ' LEU . 29.8 p -143.22 132.95 23.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.37 69.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 156.36 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -79.7 -52.04 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.25 -54.16 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 p -43.56 -48.77 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 17' ' ' CYS . 12.1 tp -57.24 -52.77 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.3 m120 -55.29 -46.93 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 1.2 t-105 -67.88 -32.25 72.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.482 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.8 t60 -81.75 -17.99 45.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -88.64 -36.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -59.65 -30.94 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' ND1' ' A' ' 26' ' ' HIS . 13.0 pttp -73.43 -35.37 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.703 ' CG ' HG21 ' A' ' 12' ' ' ILE . 3.9 m-70 -51.65 -40.57 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.75 -40.98 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -82.95 -43.63 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' VAL . 28.9 m -57.58 -58.59 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' THR . 7.8 p -33.62 -42.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -75.31 -48.34 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -44.66 -34.04 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 48' ' ' PHE . 3.8 mt -74.66 120.54 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -117.98 -28.73 5.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.0 m-85 -97.78 101.98 12.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.76 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.4 t -105.88 106.86 17.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.91 -2.07 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CZ ' HD23 ' A' ' 66' ' ' LEU . 11.7 m-85 -91.8 -53.1 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.01 -31.91 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 120.16 -6.09 12.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' CYS . 6.0 mtpm? -52.12 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' O ' HD22 ' A' ' 37' ' ' LEU . 41.1 mtt180 -145.34 139.1 26.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.717 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.3 m-85 -129.35 147.99 51.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.49 -18.89 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.9 ptpt -155.19 163.58 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -42.85 3.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.55 -37.77 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -81.03 -27.34 35.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.02 -28.53 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.68 58.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.0 -37.67 58.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.51 -34.83 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' O ' HD11 ' A' ' 66' ' ' LEU . 35.8 mtp180 -70.4 -19.86 62.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.0 t -92.84 -5.91 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.05 -28.47 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -112.77 -30.24 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.5 m-70 -118.08 31.72 0.17 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.82 -12.57 33.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.98 -14.49 20.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD12 ' HD1' ' A' ' 62' ' ' HIS . 77.0 mt -95.12 -54.02 3.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 58' ' ' ARG . 11.9 mt -42.01 -51.1 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.59 176.09 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -123.99 158.28 60.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.73 120.97 7.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -65.72 163.85 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 67.33 43.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -87.01 148.92 25.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.6 p -55.02 133.48 48.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.6 -144.04 4.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 133.37 25.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -112.87 -35.51 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 m 62.09 42.8 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.531 -179.951 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -101.18 150.93 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 t -130.78 117.91 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.54 122.15 2.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 p -136.27 147.4 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -122.75 167.74 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.46 144.54 3.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 23' ' ' LEU . 27.0 mt -75.86 160.92 29.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.828 0.346 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.506 ' NE2' HG23 ' A' ' 16' ' ' THR . 26.4 tp60 -141.56 113.89 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -71.13 149.77 46.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.75 -30.6 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.7 mp -51.51 -60.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -111.24 -38.01 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.44 37.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -84.53 175.09 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.506 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.3 p -144.82 132.0 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.439 ' SG ' HD12 ' A' ' 8' ' ' LEU . 14.6 p -140.73 146.6 37.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 2.1 mpt_? -83.07 -44.87 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -87.02 124.88 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 14.2 tptm -49.21 -51.12 34.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.31 -51.13 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -46.13 -45.05 16.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 8' ' ' LEU . 19.8 tp -54.74 -55.54 28.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -47.82 -48.71 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 3.7 t-105 -67.12 -26.42 66.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.08 -42.11 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -50.47 -35.94 31.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.05 -41.32 95.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CG ' HG21 ' A' ' 12' ' ' ILE . 20.7 m-70 -51.43 -44.45 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -52.85 -36.08 58.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -83.07 -39.29 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.7 m -60.34 -51.94 67.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 31' ' ' ALA . 17.3 m -38.08 -37.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.174 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.88 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.85 -47.93 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.0 mt -57.42 111.2 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.654 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.04 -22.31 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 62.9 m-85 -100.21 101.26 13.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.72 166.18 28.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.4 t -101.35 108.52 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.95 0.83 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 10.3 m-85 -96.16 -59.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.6 -31.43 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 118.62 -5.23 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 29.5 mttp -52.12 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HD13 ' A' ' 37' ' ' LEU . 65.2 mtt180 -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.751 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.6 m-85 -127.34 156.44 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.09 -13.66 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 9.0 ptpt -158.55 161.94 27.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.63 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 54.5 Cg_endo -69.72 -41.02 4.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -35.78 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 m -83.28 -30.8 27.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.88 -28.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.17 -40.13 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.19 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.599 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -58.66 -32.7 69.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 66' ' ' LEU . 32.5 mtp180 -72.82 -20.34 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 9.3 t -92.82 -6.07 49.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -117.98 -30.56 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.599 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.8 m -109.92 -31.23 7.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.757 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -117.93 32.94 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.757 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -12.7 33.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.41 -11.31 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.58 HD12 ' HD1' ' A' ' 62' ' ' HIS . 72.5 mt -96.78 -44.08 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 58' ' ' ARG . 11.8 mt -47.76 -44.26 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 4.8 tp -61.13 151.43 31.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -64.28 159.72 55.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 111.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.79 -175.19 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -161.71 168.08 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.71 127.16 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -157.75 121.24 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.6 p -95.13 113.33 25.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.49 133.57 3.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 156.16 64.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.9 p -58.58 169.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 p -87.84 17.44 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.46 -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 -0.346 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -112.06 115.92 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -122.07 173.37 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.62 -171.69 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 m -66.48 136.48 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -48.87 -52.23 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.03 148.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 23' ' ' LEU . 18.1 mt -72.06 154.16 41.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.711 0.291 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 16' ' ' THR . 29.1 tp60 -135.7 114.8 12.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.3 t -69.68 147.41 50.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.83 -29.16 12.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.84 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.2 mp -52.98 -58.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.98 -37.96 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.33 35.28 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -88.71 177.05 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.501 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.8 p -141.28 133.9 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.97 141.37 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.75 -48.86 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.54 122.83 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -54.64 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.76 -45.3 58.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 m -53.48 -51.03 64.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 8' ' ' LEU . 22.0 tp -47.23 -59.1 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -45.62 -56.42 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -55.82 -27.96 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.49 -16.22 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.69 -46.58 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -45.81 -37.64 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -41.03 89.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.84 ' CG ' HG21 ' A' ' 12' ' ' ILE . 31.5 m-70 -51.1 -39.46 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' O ' HG13 ' A' ' 34' ' ' VAL . . . -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -82.2 -33.7 29.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 33' ' ' THR . 13.1 m -80.45 16.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 31' ' ' ALA . 27.5 m -63.81 -25.98 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.45 98.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 38' ' ' ARG . . . -42.92 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.717 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -58.83 127.18 30.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 3.2 mtp180 -117.98 -23.97 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -111.87 102.03 52.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.86 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.75 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.3 t -103.08 106.16 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 0.03 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.4 m-85 -93.09 -53.66 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.0 -32.26 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.33 -2.77 10.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HD2' ' CE1' ' A' ' 57' ' ' HIS . 13.6 mttm -51.97 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 59.4 mtm180 -150.8 138.67 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' HB2' HG23 ' A' ' 54' ' ' VAL . 13.6 m-85 -135.38 148.89 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.39 0.75 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 ptpp? -161.86 155.06 17.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 -42.66 3.18 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.78 -37.92 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.472 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 4.0 m -80.45 -30.5 37.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.7 t -70.76 -31.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.16 -36.23 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.41 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 5.8 t60 -55.74 -38.14 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 40.7 mtp180 -66.67 -20.16 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 20.7 t -92.45 -4.24 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -117.93 -31.4 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 t -111.5 -28.89 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.808 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.96 29.86 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -8.09 22.71 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.08 -13.25 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.7 mt -93.83 -53.51 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 63' ' ' PRO . 7.4 mt -40.01 -50.32 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.59 175.52 7.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.87 145.9 69.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.76 3.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -119.42 116.33 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -38.39 -44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -76.34 158.5 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -151.86 136.52 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.29 136.78 13.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.06 15.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.9 p -146.62 125.06 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 p -76.5 -34.55 58.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.499 -179.944 . . . . . . . . 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 -0.317 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -67.93 111.1 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -122.93 121.6 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.54 88.64 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 p -139.11 167.75 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -69.91 175.57 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.6 137.31 3.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' THR . 4.0 mt -71.12 158.71 35.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -143.42 118.89 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -64.18 150.54 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -99.34 -35.09 10.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.932 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -48.6 -65.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.25 -41.05 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.07 32.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.542 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.73 176.98 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 8' ' ' LEU . 1.1 p -145.22 134.04 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.6 m -138.06 122.08 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -54.83 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.36 158.47 35.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -76.49 -59.98 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.75 -48.05 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 p -42.39 -57.7 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.41 -46.58 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -66.15 -22.78 66.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' ND1' ' CD ' ' A' ' 29' ' ' LYS . 1.8 t60 -90.21 -37.65 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -54.0 -17.19 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -77.74 -28.73 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.57 ' CD ' ' ND1' ' A' ' 26' ' ' HIS . 3.5 mtpm? -47.69 -53.95 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.932 ' CG ' HG21 ' A' ' 12' ' ' ILE . 30.5 m-70 -61.66 -45.89 92.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.31 -32.87 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -86.35 -44.66 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.521 HG22 HD11 ' A' ' 37' ' ' LEU . 19.7 m -59.06 -55.24 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.774 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.1 m -32.82 -35.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -55.59 -57.94 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.62 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 34' ' ' VAL . 5.6 mt -69.91 116.66 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.97 -28.96 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.5 m-85 -99.22 101.96 14.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.7 Cg_endo -69.71 175.8 7.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -108.12 105.69 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.67 -1.53 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.9 m-85 -92.24 -53.02 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -118.0 -31.35 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 119.86 -7.27 12.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' CYS . 13.8 mtpt -52.32 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 81.5 mtt-85 -146.77 140.21 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.2 m-85 -128.51 152.38 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.37 -10.85 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -159.13 161.41 27.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.75 -43.93 2.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -42.93 -39.07 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -79.32 -29.06 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -71.65 -32.92 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.39 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.5 t60 -57.08 -35.17 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 53.8 mtt180 -72.9 -19.46 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 7.8 t -92.63 -7.67 46.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.99 -27.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.625 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.6 m -112.4 -30.57 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.787 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -118.06 31.85 0.17 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.76 -14.05 35.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.21 -14.06 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.29 -51.09 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 63' ' ' PRO . 7.5 mt -38.49 -42.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.14 170.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.42 149.5 36.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.703 . . . . 0.0 111.049 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -173.71 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.23 . . . . 0.0 112.348 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -58.81 113.5 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.02 134.31 47.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.7 p -153.69 167.1 30.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.6 m 52.32 39.54 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 76' ' ' SER . . . 75.48 134.88 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 15.28 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 74' ' ' GLY . 58.5 m -37.62 -50.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -88.14 -56.05 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.492 -179.976 . . . . . . . . 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 -0.339 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -116.51 138.53 51.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -136.02 172.29 13.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.32 109.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -71.53 -54.78 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.83 -50.14 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.82 151.18 4.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.1 mt -71.3 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 5.8 tt0 -156.57 128.51 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.1 151.47 40.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -98.33 -32.37 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.4 mp -53.59 -68.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.3 p -97.94 -44.08 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.86 35.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.87 173.66 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -147.23 132.68 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 1.2 m -151.63 138.65 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -69.6 -55.76 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -69.35 121.81 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 5.7 tptp -58.89 -66.68 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -33.1 -38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LYS . 35.4 m -74.29 -48.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -66.31 -55.32 16.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASN . . . . . 0.854 ' N ' HD13 ' A' ' 23' ' ' LEU . 27.2 m-20 -47.72 -48.35 29.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -59.08 -29.46 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -74.49 -51.67 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 6.7 mt-30 -45.82 -37.88 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.3 -24.64 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 3.8 ptpt -54.08 -29.66 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.778 ' CG ' HG21 ' A' ' 12' ' ' ILE . 94.0 m-70 -68.01 -43.25 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -43.21 -35.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -85.34 -47.97 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 20.1 m -52.32 -49.98 63.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 31' ' ' ALA . 27.2 m -36.42 -31.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -44.05 -45.93 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -70.8 -67.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.704 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.72 124.33 16.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -118.0 -29.62 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 6.2 m-85 -98.79 101.96 13.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.73 170.43 16.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 10.6 t -105.96 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -67.6 -0.34 3.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.6 m-85 -92.51 -54.36 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.44 -32.25 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.9 -7.18 10.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mtpp -52.13 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 30.0 mtp180 -148.22 144.4 27.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.561 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -132.55 158.47 42.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.02 -18.98 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 4.7 ptpt -152.59 163.52 23.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.8 -39.58 6.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -35.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -82.24 -29.5 31.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.29 -33.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.58 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.84 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 7.3 t60 -54.58 -33.34 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.641 ' O ' HD11 ' A' ' 66' ' ' LEU . 22.9 mtp180 -73.13 -20.34 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 10.1 t -92.49 -9.49 41.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -118.01 -22.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.582 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -115.04 -33.38 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.747 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.5 m-70 -118.04 34.28 0.2 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.85 -12.26 32.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.44 -14.24 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' LEU . 97.3 mt -95.35 -57.15 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 58' ' ' ARG . 6.8 mt -37.15 -43.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 63' ' ' PRO . 4.1 mm? -57.14 173.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -80.91 158.86 69.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.73 162.06 43.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -47.29 -52.93 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -52.16 159.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -62.19 139.08 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -164.09 175.91 9.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.84 162.27 12.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.367 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -83.47 171.43 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -72.11 135.03 46.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.491 -179.986 . . . . . . . . 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 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 m -154.98 155.48 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -76.87 -56.74 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.6 -82.42 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 67.07 42.58 2.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -100.27 119.92 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.63 159.77 18.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.5 mt -81.07 138.22 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.732 0.301 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 2.1 tp-100 -113.73 130.11 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.921 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.72 151.66 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -98.62 -33.05 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.619 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -56.19 -70.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -97.96 -44.71 6.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 118.91 25.85 2.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.48 174.39 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -131.04 131.62 44.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.9 m -142.33 129.77 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.99 -64.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.15 134.38 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 19.8 tptm -54.74 -51.98 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.18 -59.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 m -49.08 -54.03 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 8' ' ' LEU . 16.4 tp -52.97 -51.08 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.63 -51.34 65.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -64.85 -24.87 67.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -84.11 -15.29 47.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.38 -54.85 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -47.11 -33.86 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -62.88 -38.34 90.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.868 ' O ' HG13 ' A' ' 34' ' ' VAL . 32.0 m-70 -51.12 -43.23 61.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -54.04 -32.45 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -89.36 -40.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.519 ' O ' HD22 ' A' ' 37' ' ' LEU . 32.0 m -59.59 -46.85 87.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 30' ' ' HIS . 34.0 m -35.99 -29.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -70.18 -58.29 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -34.11 -58.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.733 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.25 126.47 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.62 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -117.94 -29.27 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE1' ' HG3' ' A' ' 38' ' ' ARG . 59.2 m-85 -98.2 102.01 12.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.1 Cg_endo -69.78 170.06 17.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 13.3 t -105.01 110.36 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -69.78 1.8 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 21.6 m-85 -94.89 -52.78 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 -36.35 3.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.29 -8.04 7.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.2 mtpt -52.3 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 43.7 mtt180 -148.45 145.28 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -134.06 153.48 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.8 -19.5 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 2.6 pttt -153.6 164.26 21.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.79 -45.95 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -40.33 -38.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.5 m -80.68 -32.61 35.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -68.15 -31.19 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.47 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -35.83 62.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 4.8 t60 -57.67 -34.43 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' CE1' ' A' ' 43' ' ' PHE . 48.0 mtp180 -67.55 -22.14 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -93.35 -4.45 51.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -117.01 -28.92 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -114.58 -28.02 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.8 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -118.01 29.81 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.8 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.74 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.04 -18.77 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -89.85 -48.29 7.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.56 -46.3 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.56 178.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -103.99 160.28 26.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 107.39 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -91.8 135.09 34.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.47 157.15 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.4 p -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 p -105.33 136.15 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.55 157.53 25.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -174.45 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.2 m -106.84 122.2 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.6 t -134.51 159.5 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.49 -179.946 . . . . . . . . 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 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -128.32 136.55 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -84.06 130.65 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.51 -40.02 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -38.31 -61.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -70.89 148.36 47.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.25 166.16 27.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' CYS . 6.4 mt -70.83 155.23 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' A' ' 16' ' ' THR . 28.7 tp60 -137.97 109.38 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 4.2 t -63.71 149.29 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -99.71 -33.71 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -51.33 -61.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -105.53 -42.23 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 115.45 32.01 1.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -83.26 175.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.496 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -139.91 134.51 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.529 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.8 t -151.98 132.15 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -67.48 -57.64 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -72.62 124.01 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.6 tptm -59.12 -52.78 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.0 -58.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.1 m -55.21 -47.7 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -51.65 -46.69 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -55.01 -57.24 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -57.98 -26.63 62.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 5.3 t60 -78.82 -14.92 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' HIS . 57.0 mt-30 -92.87 -46.29 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -41.76 -38.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -63.93 -38.87 92.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 -53.93 -36.83 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.06 65.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' THR . 9.0 pt-20 -90.17 -38.11 13.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 20.1 m -57.2 -49.57 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 3.8 p -39.92 -40.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -57.17 -54.46 46.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -35.68 -49.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -66.8 118.88 10.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.06 -26.49 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.663 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 61.5 m-85 -97.1 102.0 11.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.78 169.99 17.65 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.0 t -107.49 109.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.8 tp10 -64.47 -15.93 61.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 12.6 m-85 -77.02 -57.52 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.7 -35.78 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 122.02 -6.0 10.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 19.1 mtpp -52.04 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 80.0 mtt180 -144.39 140.36 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 54' ' ' VAL . 7.3 m-85 -129.43 157.67 41.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.9 pt-20 -69.05 -12.15 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.7 pttm -161.04 162.7 21.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 -42.33 3.5 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.85 -34.05 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -84.95 -29.62 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.04 -28.66 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.81 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.0 -39.23 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.1 t60 -52.14 -37.56 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.524 ' O ' HD11 ' A' ' 66' ' ' LEU . 37.2 mtp180 -68.05 -18.96 64.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 8.2 t -92.51 -4.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -118.0 -33.63 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.7 m -109.35 -27.97 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.806 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.3 m-70 -118.0 29.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.78 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.97 -15.76 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 43' ' ' PHE . 95.6 mt -96.19 -55.46 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 58' ' ' ARG . 10.3 mt -38.51 -44.81 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 tp -54.59 160.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.83 130.25 76.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.77 55.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -102.04 156.44 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -116.03 174.84 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m -112.91 174.52 5.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.2 p -60.89 151.27 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.99 162.65 38.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' SER . 54.0 Cg_endo -69.77 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' PRO . 4.1 m -35.39 -42.43 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.8 t -110.06 123.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.496 179.989 . . . . . . . . 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 1.452 -0.26 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.0 t -141.93 112.43 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.8 p -37.91 -42.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.44 122.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -80.81 175.42 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -146.38 172.14 13.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.04 143.02 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 16' ' ' THR . 25.8 tp60 -122.17 121.51 37.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.01 148.38 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -98.28 -31.21 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.7 mm -55.82 -70.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.58 -42.63 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.23 24.75 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.21 175.98 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.508 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -139.83 133.82 30.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.95 137.59 22.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -70.37 -55.38 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.41 152.25 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -74.98 -51.08 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.43 -50.84 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -62.21 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.9 -42.91 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.5 -58.19 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -55.45 -23.36 25.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 4.8 t60 -82.97 -18.17 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.41 -46.14 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -43.1 -39.47 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -60.39 -38.71 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.722 ' CG ' HG21 ' A' ' 12' ' ' ILE . 21.1 m-70 -54.77 -31.49 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -66.96 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' THR . 3.6 pt-20 -88.89 -29.16 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -69.43 -24.84 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 30' ' ' HIS . 23.1 m -45.98 -31.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.28 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.35 -62.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.718 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -56.53 118.74 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.659 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.93 -24.79 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.659 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 60.7 m-85 -98.44 101.96 13.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.698 0.761 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.72 167.63 23.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 12.9 t -104.03 108.16 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.77 -1.1 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 19.1 m-85 -93.03 -56.26 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.34 -30.82 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.97 -6.29 15.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 17.9 mtpt -52.03 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 28.4 mtt-85 -145.83 137.87 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' VAL . 6.7 m-85 -126.77 158.05 37.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.15 -9.01 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.8 pttm -163.33 162.48 17.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.79 -44.53 2.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -42.84 -34.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -84.01 -31.79 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.95 -29.22 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.24 54.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.21 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 3.2 t60 -54.15 -35.26 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' HIS . 12.2 mtp-105 -68.12 -21.33 64.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.9 t -92.97 -5.3 51.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -117.99 -26.21 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 t -116.36 -29.1 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.99 29.16 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.96 -19.03 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -89.73 -54.71 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD2' ' NH2' ' A' ' 58' ' ' ARG . 8.7 mt -38.91 -51.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.96 176.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.68 111.95 53.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.093 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 138.65 38.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -65.38 158.8 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.14 104.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 t -119.86 143.25 48.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -93.31 115.37 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.38 172.57 14.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.27 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.9 p -86.74 -57.4 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 p -131.85 118.38 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.478 -179.941 . . . . . . . . 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 -0.324 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -77.72 -44.92 26.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -83.15 135.1 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.48 84.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -146.54 137.11 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.802 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -146.28 118.22 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.5 156.96 22.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.2 mt -70.89 146.03 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -132.77 130.74 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -78.27 152.47 32.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.75 -34.87 9.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.715 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.0 mp -48.03 -61.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.48 -38.74 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.93 38.8 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -89.79 177.37 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.26 132.65 20.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.23 145.58 39.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -75.28 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -73.81 133.95 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 10.6 tttm -61.47 -54.55 41.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.89 -52.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -49.89 -44.46 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.19 -46.12 86.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.44 -53.92 47.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.5 t-105 -53.4 -28.24 28.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 8.9 t60 -85.34 -15.45 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -91.85 -40.11 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 23.7 ptt85 -50.73 -35.3 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 pttm -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.715 ' CG ' HG21 ' A' ' 12' ' ' ILE . 4.2 m-70 -56.34 -42.25 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.18 -29.18 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.78 -40.91 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . 62.7 m -55.12 -30.67 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' THR . 11.3 m -34.35 -32.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -50.63 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.702 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -54.33 131.93 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mpt_? -117.08 -31.61 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.2 m-85 -98.09 102.02 12.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.8 Cg_endo -69.73 172.67 12.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -105.65 107.18 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.06 0.02 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -92.97 -52.83 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.04 -37.41 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 128.85 -9.04 6.4 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' CYS . 34.5 mtpt -52.09 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 58.3 mtp85 -149.06 149.37 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.636 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.1 m-85 -138.3 152.98 49.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.6 pt-20 -60.72 -25.67 66.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -146.62 163.82 27.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 -43.49 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -43.51 -37.19 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.6 m -81.62 -29.24 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.5 t -70.79 -35.6 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.17 70.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.16 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -58.15 -34.5 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 41.3 mtt180 -75.65 -18.83 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 34.8 t -93.09 -11.81 32.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -117.96 -23.26 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.673 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -112.48 -29.92 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.826 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.1 m-70 -118.02 28.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.4 -14.22 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt -93.28 -47.07 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 63' ' ' PRO . 8.9 mt -47.06 -45.75 21.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.97 153.15 41.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -74.65 160.22 81.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.78 172.92 11.77 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -97.5 162.97 13.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -76.93 106.79 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -154.45 175.33 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -65.14 149.64 49.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.72 169.94 18.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -79.34 -43.36 23.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 97.0 p -85.29 -57.32 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.474 -179.976 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -96.83 175.59 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -109.24 142.15 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.54 166.49 21.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -150.68 155.53 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -58.96 147.34 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.77 142.12 9.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.26 146.45 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -136.45 117.6 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.8 t -68.8 148.36 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.76 -32.71 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.587 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -48.71 -60.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -107.25 -37.68 6.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.27 37.38 1.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -91.38 174.82 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.55 132.25 25.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 23' ' ' LEU . 18.8 p -138.39 156.54 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -90.99 -55.83 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -77.96 126.89 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.27 -48.38 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.92 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -43.83 -44.33 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD13 ' SG ' ' A' ' 17' ' ' CYS . 8.4 tp -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.86 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -73.82 -24.25 59.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.0 t60 -88.18 -22.67 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 61.1 mt-30 -90.55 -41.6 11.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 36.4 ptt85 -40.56 -36.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -71.32 -39.05 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 -53.34 -36.2 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.65 -42.36 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.1 pt-20 -81.38 -33.56 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.463 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.0 m -64.44 -55.5 20.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 35' ' ' ALA . 7.7 p -41.47 -41.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -62.99 -54.49 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' GLU . . . -45.53 -36.4 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 48' ' ' PHE . 6.5 mt -74.15 114.81 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.89 -20.75 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE2' ' HD3' ' A' ' 51' ' ' PRO . 51.5 m-85 -101.62 100.08 13.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.79 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 42.8 t -101.83 110.25 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.8 0.61 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.603 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 2.3 m-85 -95.36 -53.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -116.98 -34.72 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 123.08 -6.61 9.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 40.6 mtpt -51.98 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' HD13 ' A' ' 37' ' ' LEU . 49.3 mtm180 -145.01 138.41 26.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.642 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.1 m-85 -127.55 147.86 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -61.43 -10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.6 pttp -161.65 161.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.629 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.72 -42.62 3.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -43.18 -36.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -82.42 -29.63 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.618 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -71.87 -27.08 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.17 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.95 59.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.7 t60 -56.53 -38.82 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 15.0 mtm180 -71.49 -20.47 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 6.1 t -92.44 -7.37 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -117.97 -27.41 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.633 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.5 m -112.71 -30.33 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.791 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.98 30.84 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.44 -10.35 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 43' ' ' PHE . 91.7 mt -95.46 -55.53 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mt -38.87 -45.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 5.2 tp -64.29 152.07 42.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -63.7 150.96 89.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 153.06 69.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -124.39 112.88 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -94.58 138.61 32.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.9 t -153.65 138.7 17.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 p -69.24 127.99 35.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.16 -131.54 1.3 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 88.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.4 t -93.59 -49.85 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.6 m -83.59 119.31 24.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.506 -179.966 . . . . . . . . 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 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -130.64 149.18 52.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -92.18 136.57 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.36 145.94 10.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -87.64 165.76 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -97.54 160.36 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.3 132.36 6.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 16' ' ' THR . 9.3 mt -71.02 164.68 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.43 ' OE1' HG23 ' A' ' 16' ' ' THR . 1.4 tp-100 -145.06 110.29 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.7 t -64.96 150.04 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.61 -30.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.811 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mp -55.38 -65.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.17 -37.99 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.54 28.0 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.67 175.29 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.454 HG22 ' O ' ' A' ' 8' ' ' LEU . 2.1 p -142.48 133.97 26.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -150.89 143.51 24.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -79.44 -51.57 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.33 127.42 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.7 mmtt -63.14 -59.06 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -37.64 -47.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 m -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.23 -52.32 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -55.01 -37.77 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -71.45 -26.7 62.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -88.91 -15.75 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.5 -45.14 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -48.46 -32.03 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.34 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.811 ' CG ' HG21 ' A' ' 12' ' ' ILE . 12.1 m-70 -52.75 -43.92 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -44.29 -42.1 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -77.76 -40.25 41.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ALA . 85.7 m -59.84 -21.71 61.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' A' ' 37' ' ' LEU . 34.3 m -37.43 -29.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -59.8 -59.9 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -36.6 -61.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.721 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.51 121.96 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.02 -24.57 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 66.5 m-85 -99.4 101.99 14.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.1 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -104.51 110.62 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.22 2.41 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 3.4 m-85 -97.96 -52.9 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.84 -29.16 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.53 -4.2 19.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' NZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.8 mtpm? -52.01 -178.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 50.6 mtt-85 -147.34 138.75 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -129.43 160.85 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -11.91 60.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.2 ptpt -157.76 162.52 27.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.72 -40.42 5.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -37.46 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -79.37 -29.59 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -72.54 -36.33 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -37.32 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.55 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 3.4 t60 -55.69 -35.74 66.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.1 mtt180 -67.59 -22.56 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 52.6 m -93.15 -4.89 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -118.05 -24.54 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.664 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -118.03 -29.55 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.2 m-70 -118.0 29.35 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.74 -7.11 20.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.39 -19.69 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -87.88 -44.53 11.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 63' ' ' PRO . 15.2 mt -42.21 -45.47 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.47 178.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 69' ' ' PRO . . . -88.51 109.32 28.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.83 108.36 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.78 121.92 32.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -165.79 166.82 17.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t -102.87 127.87 49.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.9 p -145.87 161.22 40.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 75' ' ' PRO . . . -132.96 100.67 0.41 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 74' ' ' GLY . 54.5 Cg_endo -69.72 177.68 5.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -85.61 -60.15 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -149.73 161.29 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.473 -179.967 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 p -144.86 127.67 16.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -140.6 143.89 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.91 62.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -102.66 109.06 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -84.8 127.22 34.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.51 144.54 47.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 20' ' ' LYS . 6.0 mt -81.07 155.87 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.44 ' NE2' ' CG2' ' A' ' 16' ' ' THR . 3.0 tp-100 -133.86 113.87 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -67.64 150.06 49.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -100.03 -35.06 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.916 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -46.58 -62.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 p -110.52 -38.04 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 32.22 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.76 175.94 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.44 ' CG2' ' NE2' ' A' ' 9' ' ' GLN . 1.4 p -146.52 134.15 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -130.55 169.19 15.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -97.93 -53.8 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -89.73 140.54 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.36 -54.68 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.06 -48.18 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -43.71 -62.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' HIS . 14.3 tp -42.97 -62.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -44.26 -42.91 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' TRP . . . . . 0.403 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 58.1 t-105 -62.46 -30.63 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.7 t60 -85.03 -48.75 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' HD13 ' A' ' 12' ' ' ILE . 63.8 mt-30 -56.34 -48.92 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 25' ' ' TRP . 15.5 ptp180 -43.56 -33.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -61.07 -40.76 94.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' HIS . . . . . 0.916 ' CG ' HG21 ' A' ' 12' ' ' ILE . 57.6 m-70 -54.55 -47.65 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.45 -54.11 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.37 -34.56 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' THR . . . . . 0.9 ' CG2' ' HB3' ' A' ' 36' ' ' ALA . 2.3 m -130.06 102.0 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 30' ' ' HIS . 35.7 m -117.99 -32.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . -108.83 -37.98 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.9 ' HB3' ' CG2' ' A' ' 33' ' ' THR . . . -38.13 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.745 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.7 mt -58.74 110.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.69 -22.1 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 42.1 m-85 -100.74 102.01 17.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.663 0.744 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.0 Cg_endo -69.78 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 28.2 t -102.69 107.71 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.88 -0.97 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.6 m-85 -92.86 -52.67 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.88 -36.3 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 125.2 -6.14 8.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 21.6 mtpt -52.06 -179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 37' ' ' LEU . 38.3 mtp180 -145.92 130.79 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.2 m-85 -120.15 155.55 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' A' ' 33' ' ' THR . 1.0 OUTLIER -67.26 -20.82 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -149.03 161.24 33.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.53 0.681 . . . . 0.0 110.917 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.81 -42.84 3.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.88 -36.81 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 m -80.31 -29.08 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.89 -32.8 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.11 -40.14 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.77 -38.97 73.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.7 t60 -57.89 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 37.7 mtt180 -73.76 -20.42 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 5.1 t -92.91 -5.38 50.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 63' ' ' PRO . 11.1 pttm -117.98 -35.11 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -105.69 -27.77 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.816 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -118.0 29.41 0.13 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.713 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.79 -12.76 33.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.77 -14.25 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HD1' ' A' ' 62' ' ' HIS . 85.5 mt -91.73 -50.25 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -45.64 -41.75 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.44 173.75 12.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.46 125.74 82.91 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 124.07 10.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.397 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -113.0 113.8 25.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -147.57 107.48 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m -97.5 -55.79 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -58.08 -65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.58 141.53 12.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -16.21 37.22 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.29 103.27 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -80.35 -44.22 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.483 179.991 . . . . . . . . 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 -0.286 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.28 148.81 46.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 16' ' ' THR . 30.9 tp60 -127.88 126.04 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -78.42 150.34 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.9 -30.85 12.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.651 HG21 ' CG ' ' A' ' 30' ' ' HIS . 39.6 mm -54.6 -69.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.14 -39.81 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.9 31.92 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -80.32 174.45 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.492 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -144.06 132.04 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -141.27 148.78 40.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.4 mpt_? -79.42 -55.54 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -74.35 139.05 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -60.13 -47.35 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.9 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -43.51 -54.43 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.99 -55.69 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -53.46 -52.36 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.41 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.1 t60 -83.93 -17.61 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -90.42 -38.33 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -47.43 -34.98 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 6.3 pttt -72.59 -38.1 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.651 ' CG ' HG21 ' A' ' 12' ' ' ILE . 5.2 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.624 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.792 0.329 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.2 mpt_? -118.0 -31.05 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.9 m-85 -99.12 102.02 14.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.83 170.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.0 t -104.71 106.4 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 4.2 pm0 -66.69 -1.52 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -91.61 -51.66 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -117.93 -36.19 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.79 -8.87 8.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.425 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -51.96 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 40.6 mtt85 -148.91 143.62 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -132.0 156.0 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -17.75 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 2.0 pttm -154.12 162.71 26.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.8 -41.92 3.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.68 -35.45 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -83.32 -29.65 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -72.53 -29.23 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.79 -38.19 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.5 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 6.0 t60 -53.24 -36.52 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 23.9 mtp180 -68.65 -20.35 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -92.4 -4.55 53.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -117.98 -31.25 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.61 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.4 t -110.98 -30.17 7.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.8 m-70 -117.96 32.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.75 -9.01 25.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.907 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 23' ' ' LEU . 11.6 mt -71.15 159.12 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.532 ' NE2' HG23 ' A' ' 16' ' ' THR . 26.5 tp60 -142.17 108.71 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 t -59.0 148.34 31.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -99.21 -31.99 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -50.85 -63.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.58 -40.47 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 116.99 33.25 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.97 175.08 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.532 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -143.91 131.29 20.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -144.91 142.19 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -78.94 -47.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.55 127.87 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.54 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -51.8 -45.05 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 8' ' ' LEU . 13.8 tp -55.73 -52.07 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.09 -50.56 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.402 ' CE3' ' HD3' ' A' ' 28' ' ' ARG . 64.3 t-105 -63.79 -25.46 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 7.7 t60 -88.36 -18.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 77.3 mt-30 -87.33 -33.05 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.402 ' HD3' ' CE3' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -64.29 -33.49 75.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 5.0 pttp -63.93 -24.68 67.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.581 ' CG ' HG21 ' A' ' 12' ' ' ILE . 29.9 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.607 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.812 0.339 . . . . 0.0 110.923 . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -117.95 -32.12 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.5 m-85 -98.5 101.98 13.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.5 Cg_endo -69.69 171.21 14.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.4 t -106.03 106.24 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.0 -0.77 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 4.0 m-85 -92.31 -52.44 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -117.84 -36.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.65 -8.52 7.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.0 mtpt -52.05 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 32.7 mtt-85 -147.48 144.48 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.5 m-85 -133.58 150.3 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.71 -18.11 61.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -151.33 163.13 24.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.82 -48.57 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.288 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.25 -35.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -80.08 -31.08 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.24 -39.9 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.78 -40.68 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.32 -33.11 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.8 mtt180 -74.22 -20.5 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 38.3 t -92.2 -8.22 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.01 -26.83 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.624 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.5 t -111.52 -31.58 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.1 m-70 -117.98 32.12 0.17 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.1 Cg_endo -69.75 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 20' ' ' LYS . 14.7 mt -72.5 148.41 45.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -136.11 124.17 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -72.09 148.56 45.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 7.2 pt-20 -99.57 -33.12 10.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.877 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -48.03 -60.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.39 -37.94 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.14 38.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -88.71 177.01 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.06 133.72 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.21 137.88 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.07 -58.52 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.57 139.34 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.591 ' CD ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.67 -56.89 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.99 -52.73 2.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -49.79 -46.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.04 -55.74 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -47.67 -42.3 24.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -69.32 -27.12 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -85.35 -19.33 31.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.635 ' OE1' HD13 ' A' ' 12' ' ' ILE . 14.0 mm-40 -90.49 -40.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.42 -37.55 56.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.877 ' CG ' HG21 ' A' ' 12' ' ' ILE . 32.8 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.611 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.773 0.32 . . . . 0.0 110.93 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.462 ' NH1' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -117.96 -31.31 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.8 m-85 -97.99 101.97 12.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.5 Cg_endo -69.77 171.66 14.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.8 t -104.81 109.94 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.46 1.37 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -95.9 -57.57 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.61 -33.76 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 121.26 -8.11 10.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.1 mtpp -52.07 -179.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 73.7 mtp85 -146.12 143.45 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.58 ' HB2' HG23 ' A' ' 54' ' ' VAL . 4.0 m-85 -131.6 153.83 49.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.0 pt-20 -61.03 -20.22 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.9 ptmt -155.3 165.08 19.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -42.2 -37.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 m -82.04 -29.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.5 -33.02 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.43 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.75 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -55.11 -33.88 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' HIS . 20.3 mtp180 -73.69 -19.11 60.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 18.2 t -92.72 -6.84 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -118.02 -31.35 5.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.598 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.9 m -108.25 -31.47 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.76 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.1 m-70 -118.08 33.75 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.76 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.5 Cg_endo -69.72 -16.19 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.858 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 N-CA-C 112.441 -0.264 . . . . 0.0 112.441 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.46 160.59 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.543 ' NE2' HG23 ' A' ' 16' ' ' THR . 22.8 tp60 -136.9 118.66 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.43 149.05 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -98.48 -29.91 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.78 HG21 ' CG ' ' A' ' 30' ' ' HIS . 40.9 mm -56.12 -68.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.96 -41.13 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.47 29.76 2.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -78.52 175.02 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.543 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -137.63 132.52 33.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' CB ' ' A' ' 22' ' ' SER . 3.4 t -146.48 148.21 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -82.87 -58.01 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.73 144.77 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.3 mmtm -70.18 -57.58 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.61 -42.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.462 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 18.5 m -62.45 -56.53 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -46.67 -48.98 19.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -58.04 -54.37 47.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -62.66 -26.12 68.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.04 -15.75 49.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -91.17 -47.16 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -50.17 -36.77 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -40.2 82.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.78 ' CG ' HG21 ' A' ' 12' ' ' ILE . 35.4 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 47' ' ' ARG . 5.4 mt . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.813 0.34 . . . . 0.0 110.928 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 m-85 -98.56 102.01 13.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.673 0.749 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.3 Cg_endo -69.81 170.7 16.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.347 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.5 t -105.65 106.91 17.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -0.6 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -93.23 -52.3 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.98 -35.77 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 124.65 -7.97 8.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' CYS . 20.3 mtpt -52.16 179.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.809 ' O ' HD13 ' A' ' 37' ' ' LEU . 68.4 mtm180 -145.91 138.66 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.652 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -126.89 156.18 41.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -12.62 61.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 ptpp? -157.14 159.98 30.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.77 -41.23 4.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -45.95 -37.8 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -30.91 41.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -69.25 -30.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.24 -37.54 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.3 t60 -56.35 -34.07 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.468 ' NH2' ' CG1' ' A' ' 54' ' ' VAL . 59.4 mtt180 -72.49 -20.39 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 40.7 t -92.57 -7.13 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -117.99 -26.93 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.646 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.7 m -112.99 -30.39 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.797 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -117.99 30.74 0.15 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -12.41 32.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.881 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.532 ' HB3' HD22 ' A' ' 23' ' ' LEU . 5.4 mt -73.63 164.12 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -145.12 138.73 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -85.88 151.36 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.19 -32.47 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.901 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.8 mp -51.09 -61.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.27 -39.23 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.17 35.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -85.77 -179.82 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.44 135.02 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.5 m -141.63 131.3 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -72.07 -42.74 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.45 125.42 34.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 13.8 tptt -50.01 -58.96 4.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -42.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -59.29 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 8' ' ' LEU . 14.3 tp -51.37 -59.67 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -52.57 -47.42 66.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -66.54 -26.45 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -80.37 -37.79 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -61.12 -57.7 11.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.64 -37.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -48.31 -44.57 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.901 ' CG ' HG21 ' A' ' 12' ' ' ILE . 84.8 m-70 . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.59 HD12 ' N ' ' A' ' 49' ' ' GLU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.783 0.325 . . . . 0.0 110.95 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -117.99 -29.55 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.4 m-85 -99.95 102.0 16.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.1 Cg_endo -69.8 174.27 9.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.309 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -106.11 106.43 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.58 -2.77 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 6.2 m-85 -91.2 -52.99 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.83 -31.46 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 118.75 -5.03 14.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' CYS . 12.7 mtpp -53.57 -179.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 49.8 mtt-85 -145.68 140.5 27.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG23 ' A' ' 54' ' ' VAL . 8.0 m-85 -128.7 156.61 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -70.88 -3.31 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 15.7 pttt -167.2 160.3 10.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.11 -35.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -83.5 -29.87 27.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.69 -32.04 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.95 -37.33 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.35 -38.89 55.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.2 t60 -53.07 -37.77 61.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 25.4 mtp180 -67.12 -20.56 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 2.4 t -92.52 -3.73 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -118.05 -30.75 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.651 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.3 m -112.68 -29.01 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.799 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.7 m-70 -117.99 30.28 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.799 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.72 -10.49 28.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.24 155.66 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 16' ' ' THR . 28.2 tp60 -128.27 116.19 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 12' ' ' ILE . 42.6 t -62.93 116.08 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.04 8.25 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' CG ' ' A' ' 30' ' ' HIS . 36.6 mm -95.51 -53.36 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.63 -37.96 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.21 16.94 4.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.17 177.81 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.517 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -142.82 139.0 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.19 122.44 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 18' ' ' ARG . 23.4 mtt-85 -61.85 -46.74 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -73.17 137.5 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -70.95 -57.73 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.04 -42.35 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -57.77 -49.0 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.25 -54.7 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.07 -42.07 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 25' ' ' TRP . 4.8 t-105 -68.24 -27.11 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.78 -15.76 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.65 -36.13 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -55.47 -33.51 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 14.2 pttt -69.19 -35.35 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.736 ' CG ' HG21 ' A' ' 12' ' ' ILE . 16.1 m-70 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.62 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.831 0.348 . . . . 0.0 110.948 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -117.45 -31.7 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.9 m-85 -99.47 102.1 15.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.8 171.57 14.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 14.7 t -105.95 105.66 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.4 -1.93 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.7 m-85 -90.7 -52.06 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.01 -36.12 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.55 -9.41 7.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.1 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 80.7 mtt85 -147.66 144.56 28.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.6 m-85 -132.69 152.81 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.35 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -153.59 162.8 25.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.841 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.59 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -44.98 -39.3 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -79.34 -28.18 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -73.1 -34.98 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -71.43 -38.21 71.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.63 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.8 t60 -55.29 -34.51 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.3 mtt180 -72.11 -20.86 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -92.18 -6.72 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -117.95 -25.18 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -115.76 -31.21 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.786 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.93 32.32 0.17 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.718 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.77 -15.54 37.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.877 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.27 151.9 39.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.497 ' NE2' HG23 ' A' ' 16' ' ' THR . 24.1 tp60 -133.43 116.83 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.1 t -71.89 149.54 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.4 -31.93 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.936 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -51.7 -62.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.29 -38.01 6.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.86 30.83 2.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -83.56 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.497 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.5 p -136.48 130.6 32.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -139.93 135.37 32.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -45.65 52.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.55 141.31 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -72.76 -52.26 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.67 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -61.37 -54.31 45.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -45.83 -50.86 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.09 -54.26 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.0 t-105 -63.64 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -82.64 -19.93 37.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -89.99 -37.86 14.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.86 -33.11 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -63.74 -38.49 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.936 ' CG ' HG21 ' A' ' 12' ' ' ILE . 34.0 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.834 0.35 . . . . 0.0 110.911 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -117.91 -30.02 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.6 m-85 -99.49 101.99 15.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.71 171.09 15.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.9 t -104.95 107.75 18.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -67.01 -0.84 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 5.6 m-85 -92.87 -51.71 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.91 -35.46 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.44 -8.38 8.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 15.3 mtpp -51.99 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 47.9 mtt-85 -147.38 143.41 27.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.4 m-85 -131.75 154.2 49.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.3 pt-20 -62.33 -18.98 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.6 ptpt -155.42 163.94 22.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.78 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.21 -37.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m -82.15 -30.18 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.92 -26.54 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.44 -38.4 49.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.89 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.11 -36.37 63.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 62' ' ' HIS . 10.5 mtp-105 -70.61 -20.31 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 4.3 m -93.51 -4.72 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.87 -33.33 4.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.613 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -107.88 -29.31 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.79 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.2 m-70 -118.01 31.87 0.17 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.79 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.75 -7.93 22.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.884 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.474 -0.25 . . . . 0.0 112.474 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 142.37 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -133.51 127.74 33.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -77.1 150.27 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -100.37 -32.56 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 mp -48.64 -59.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -110.57 -38.03 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 112.57 41.34 1.04 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -90.57 174.97 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.89 131.83 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -151.71 123.89 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -61.47 -44.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -71.95 119.62 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.0 -51.14 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.88 -49.72 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 m -52.46 -45.13 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.03 -59.96 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -47.21 -55.55 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -58.42 -25.59 62.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.42 -22.12 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -88.09 -41.3 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -46.5 -39.02 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 15.6 pttt -69.52 -38.28 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.628 ' CG ' HG21 ' A' ' 12' ' ' ILE . 6.7 m-70 . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 48' ' ' PHE . 8.2 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.791 0.329 . . . . 0.0 110.881 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.417 ' NH1' ' O ' ' A' ' 49' ' ' GLU . 0.0 OUTLIER -118.01 -30.57 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.2 m-85 -98.19 101.99 12.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.9 Cg_endo -69.75 172.53 12.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.6 t -107.26 105.76 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -65.88 -2.2 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.7 m-85 -91.11 -51.92 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.87 -36.05 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.06 -9.75 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.71 -179.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 30.2 mtt-85 -146.57 143.82 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.5 m-85 -132.11 146.24 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 1.3 pt-20 -54.86 -21.17 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -152.19 163.17 24.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -43.61 2.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -41.72 -39.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -79.97 -27.39 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -71.55 -32.49 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.78 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.48 -39.3 64.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -56.5 -34.38 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 38.5 mtt180 -73.33 -19.13 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 75.2 m -92.6 -7.54 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -118.02 -29.05 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.608 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 m -110.24 -31.35 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.77 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.99 33.03 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.77 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.887 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 9.5 mt -80.65 148.69 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.471 ' NE2' HG23 ' A' ' 16' ' ' THR . 23.4 tp60 -122.54 120.83 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.35 152.38 43.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.27 -32.84 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.703 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -55.62 -68.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.7 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.41 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.31 172.35 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.471 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -134.45 130.63 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HD13 ' A' ' 23' ' ' LEU . 29.8 p -143.22 132.95 23.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.37 69.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 156.36 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -79.7 -52.04 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.25 -54.16 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 p -43.56 -48.77 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 17' ' ' CYS . 12.1 tp -57.24 -52.77 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -55.29 -46.93 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 1.2 t-105 -67.88 -32.25 72.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.482 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.8 t60 -81.75 -17.99 45.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -88.64 -36.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -59.65 -30.94 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' ND1' ' A' ' 26' ' ' HIS . 13.0 pttp -73.43 -35.37 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.703 ' CG ' HG21 ' A' ' 12' ' ' ILE . 3.9 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 48' ' ' PHE . 3.8 mt . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.813 0.339 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -117.98 -28.73 5.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.0 m-85 -97.78 101.98 12.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.76 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.4 t -105.88 106.86 17.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.91 -2.07 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.515 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 11.7 m-85 -91.8 -53.1 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.01 -31.91 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 120.16 -6.09 12.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' CYS . 6.0 mtpm? -52.12 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.543 ' O ' HD22 ' A' ' 37' ' ' LEU . 41.1 mtt180 -145.34 139.1 26.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.717 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.3 m-85 -129.35 147.99 51.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.404 ' HA ' ' HA ' ' A' ' 37' ' ' LEU . 1.0 OUTLIER -57.49 -18.89 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.9 ptpt -155.19 163.58 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -42.85 3.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.55 -37.77 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -81.03 -27.34 35.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.02 -28.53 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.68 58.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.0 -37.67 58.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.51 -34.83 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.494 ' O ' ' C ' ' A' ' 62' ' ' HIS . 35.8 mtp180 -70.4 -19.86 62.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.0 t -92.84 -5.91 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.05 -28.47 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -112.77 -30.24 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.5 m-70 -118.08 31.72 0.17 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.82 -12.57 33.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.872 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 23' ' ' LEU . 27.0 mt -75.86 160.92 29.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.828 0.346 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.506 ' NE2' HG23 ' A' ' 16' ' ' THR . 26.4 tp60 -141.56 113.89 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -71.13 149.77 46.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.75 -30.6 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.475 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.7 mp -51.51 -60.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -111.24 -38.01 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.44 37.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -84.53 175.09 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.506 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.3 p -144.82 132.0 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.439 ' SG ' HD12 ' A' ' 8' ' ' LEU . 14.6 p -140.73 146.6 37.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 2.1 mpt_? -83.07 -44.87 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -87.02 124.88 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 14.2 tptm -49.21 -51.12 34.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.31 -51.13 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -46.13 -45.05 16.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 8' ' ' LEU . 19.8 tp -54.74 -55.54 28.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -47.82 -48.71 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.456 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 3.7 t-105 -67.12 -26.42 66.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.08 -42.11 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -50.47 -35.94 31.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.05 -41.32 95.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CG ' HG21 ' A' ' 12' ' ' ILE . 20.7 m-70 . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.0 mt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.81 0.338 . . . . 0.0 110.902 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.654 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.04 -22.31 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 62.9 m-85 -100.21 101.26 13.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.72 166.18 28.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.4 t -101.35 108.52 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.95 0.83 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 10.3 m-85 -96.16 -59.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.6 -31.43 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 118.62 -5.23 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 29.5 mttp -52.12 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HD13 ' A' ' 37' ' ' LEU . 65.2 mtt180 -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.751 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.6 m-85 -127.34 156.44 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.09 -13.66 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 9.0 ptpt -158.55 161.94 27.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.63 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 54.5 Cg_endo -69.72 -41.02 4.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -35.78 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 m -83.28 -30.8 27.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.88 -28.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.17 -40.13 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.19 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.599 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -58.66 -32.7 69.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.489 ' O ' ' C ' ' A' ' 62' ' ' HIS . 32.5 mtp180 -72.82 -20.34 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 9.3 t -92.82 -6.07 49.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -117.98 -30.56 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.599 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.8 m -109.92 -31.23 7.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.757 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -117.93 32.94 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.757 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -12.7 33.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.88 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 23' ' ' LEU . 18.1 mt -72.06 154.16 41.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.711 0.291 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 16' ' ' THR . 29.1 tp60 -135.7 114.8 12.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.443 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.3 t -69.68 147.41 50.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.83 -29.16 12.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.84 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.2 mp -52.98 -58.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.98 -37.96 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.33 35.28 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -88.71 177.05 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.501 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.8 p -141.28 133.9 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.97 141.37 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.75 -48.86 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.54 122.83 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -54.64 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.76 -45.3 58.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 m -53.48 -51.03 64.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 8' ' ' LEU . 22.0 tp -47.23 -59.1 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -45.62 -56.42 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -55.82 -27.96 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.49 -16.22 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.69 -46.58 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -45.81 -37.64 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -41.03 89.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.84 ' CG ' HG21 ' A' ' 12' ' ' ILE . 31.5 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.858 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.694 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.174 0 CA-C-O 120.799 0.333 . . . . 0.0 110.906 . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 3.2 mtp180 -117.98 -23.97 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -111.87 102.03 52.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.86 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.75 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.3 t -103.08 106.16 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 0.03 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.4 m-85 -93.09 -53.66 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.0 -32.26 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.33 -2.77 10.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HD2' ' CE1' ' A' ' 57' ' ' HIS . 13.6 mttm -51.97 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 59.4 mtm180 -150.8 138.67 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.488 ' HB2' HG23 ' A' ' 54' ' ' VAL . 13.6 m-85 -135.38 148.89 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.39 0.75 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 ptpp? -161.86 155.06 17.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 -42.66 3.18 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.78 -37.92 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.472 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 4.0 m -80.45 -30.5 37.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.7 t -70.76 -31.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.16 -36.23 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.41 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 5.8 t60 -55.74 -38.14 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 40.7 mtp180 -66.67 -20.16 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 20.7 t -92.45 -4.24 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -117.93 -31.4 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 t -111.5 -28.89 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.808 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.96 29.86 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -8.09 22.71 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.845 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' THR . 4.0 mt -71.12 158.71 35.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -143.42 118.89 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -64.18 150.54 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -99.34 -35.09 10.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.932 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -48.6 -65.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.25 -41.05 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.07 32.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.542 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.73 176.98 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 8' ' ' LEU . 1.1 p -145.22 134.04 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.6 m -138.06 122.08 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -54.83 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.36 158.47 35.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -76.49 -59.98 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.75 -48.05 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 p -42.39 -57.7 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.41 -46.58 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -66.15 -22.78 66.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.57 ' ND1' ' CD ' ' A' ' 29' ' ' LYS . 1.8 t60 -90.21 -37.65 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -54.0 -17.19 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -77.74 -28.73 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.57 ' CD ' ' ND1' ' A' ' 26' ' ' HIS . 3.5 mtpm? -47.69 -53.95 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.932 ' CG ' HG21 ' A' ' 12' ' ' ILE . 30.5 m-70 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.639 HD22 ' HA ' ' A' ' 48' ' ' PHE . 5.6 mt . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.777 0.323 . . . . 0.0 110.937 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.97 -28.96 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.5 m-85 -99.22 101.96 14.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.7 Cg_endo -69.71 175.8 7.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -108.12 105.69 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.67 -1.53 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.9 m-85 -92.24 -53.02 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -118.0 -31.35 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 119.86 -7.27 12.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' CYS . 13.8 mtpt -52.32 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 81.5 mtt-85 -146.77 140.21 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.2 m-85 -128.51 152.38 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.37 -10.85 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -159.13 161.41 27.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.75 -43.93 2.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -42.93 -39.07 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -79.32 -29.06 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -71.65 -32.92 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.39 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.5 t60 -57.08 -35.17 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 53.8 mtt180 -72.9 -19.46 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 7.8 t -92.63 -7.67 46.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.99 -27.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.625 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.6 m -112.4 -30.57 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.787 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -118.06 31.85 0.17 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.76 -14.05 35.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.879 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.1 mt -71.3 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -156.57 128.51 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.1 151.47 40.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -98.33 -32.37 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.4 mp -53.59 -68.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.3 p -97.94 -44.08 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.86 35.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.87 173.66 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -147.23 132.68 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 1.2 m -151.63 138.65 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -69.6 -55.76 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -69.35 121.81 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 5.7 tptp -58.89 -66.68 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -33.1 -38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LYS . 35.4 m -74.29 -48.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -66.31 -55.32 16.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . 0.854 ' N ' HD13 ' A' ' 23' ' ' LEU . 27.2 m-20 -47.72 -48.35 29.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -59.08 -29.46 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -74.49 -51.67 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.443 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 6.7 mt-30 -45.82 -37.88 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.3 -24.64 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 3.8 ptpt -54.08 -29.66 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.778 ' CG ' HG21 ' A' ' 12' ' ' ILE . 94.0 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.619 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.795 0.331 . . . . 0.0 110.932 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -118.0 -29.62 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 6.2 m-85 -98.79 101.96 13.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.73 170.43 16.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 10.6 t -105.96 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -67.6 -0.34 3.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.6 m-85 -92.51 -54.36 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.44 -32.25 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.9 -7.18 10.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mtpp -52.13 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 30.0 mtp180 -148.22 144.4 27.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.561 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -132.55 158.47 42.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.02 -18.98 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 4.7 ptpt -152.59 163.52 23.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.8 -39.58 6.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -35.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -82.24 -29.5 31.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.29 -33.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.58 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.84 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 7.3 t60 -54.58 -33.34 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 22.9 mtp180 -73.13 -20.34 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 10.1 t -92.49 -9.49 41.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -118.01 -22.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.582 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -115.04 -33.38 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.747 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.5 m-70 -118.04 34.28 0.2 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.85 -12.26 32.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.83 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.5 mt -81.07 138.22 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.732 0.301 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 16' ' ' THR . 23.4 tp60 -113.73 130.11 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.72 151.66 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -98.62 -33.05 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.619 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -56.19 -70.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -97.96 -44.71 6.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 118.91 25.85 2.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.48 174.39 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.503 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -131.04 131.62 44.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.9 m -142.33 129.77 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.99 -64.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.15 134.38 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 19.8 tptm -54.74 -51.98 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.18 -59.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 m -49.08 -54.03 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 8' ' ' LEU . 16.4 tp -52.97 -51.08 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.63 -51.34 65.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -64.85 -24.87 67.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -84.11 -15.29 47.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.38 -54.85 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -47.11 -33.86 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -62.88 -38.34 90.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.619 ' CG ' HG21 ' A' ' 12' ' ' ILE . 32.0 m-70 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.604 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.836 0.351 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.62 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -117.94 -29.27 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE1' ' HG3' ' A' ' 38' ' ' ARG . 59.2 m-85 -98.2 102.01 12.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.1 Cg_endo -69.78 170.06 17.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 13.3 t -105.01 110.36 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -69.78 1.8 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 21.6 m-85 -94.89 -52.78 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 -36.35 3.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.29 -8.04 7.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.2 mtpt -52.3 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 43.7 mtt180 -148.45 145.28 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -134.06 153.48 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.8 -19.5 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 2.6 pttt -153.6 164.26 21.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.79 -45.95 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -40.33 -38.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.5 m -80.68 -32.61 35.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.573 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -68.15 -31.19 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.47 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -35.83 62.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 4.8 t60 -57.67 -34.43 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' CE1' ' A' ' 43' ' ' PHE . 48.0 mtp180 -67.55 -22.14 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -93.35 -4.45 51.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -117.01 -28.92 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -114.58 -28.02 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.8 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -118.01 29.81 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.8 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.74 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.874 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.289 0 N-CA-C 112.46 -0.256 . . . . 0.0 112.46 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' CYS . 6.4 mt -70.83 155.23 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' A' ' 16' ' ' THR . 28.7 tp60 -137.97 109.38 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 4.2 t -63.71 149.29 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -99.71 -33.71 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -51.33 -61.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -105.53 -42.23 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 115.45 32.01 1.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -83.26 175.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.496 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -139.91 134.51 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.529 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.8 t -151.98 132.15 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -67.48 -57.64 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -72.62 124.01 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.6 tptm -59.12 -52.78 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.0 -58.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.1 m -55.21 -47.7 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -51.65 -46.69 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -55.01 -57.24 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -57.98 -26.63 62.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 5.3 t60 -78.82 -14.92 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' HIS . 57.0 mt-30 -92.87 -46.29 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -41.76 -38.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -63.93 -38.87 92.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.761 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.806 0.336 . . . . 0.0 110.901 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.06 -26.49 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.663 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 61.5 m-85 -97.1 102.0 11.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.78 169.99 17.65 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.0 t -107.49 109.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.8 tp10 -64.47 -15.93 61.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 12.6 m-85 -77.02 -57.52 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.7 -35.78 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 122.02 -6.0 10.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 19.1 mtpp -52.04 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.432 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 80.0 mtt180 -144.39 140.36 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 54' ' ' VAL . 7.3 m-85 -129.43 157.67 41.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.9 pt-20 -69.05 -12.15 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.7 pttm -161.04 162.7 21.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 -42.33 3.5 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.85 -34.05 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -84.95 -29.62 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.04 -28.66 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.81 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.0 -39.23 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.1 t60 -52.14 -37.56 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.2 mtp180 -68.05 -18.96 64.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 8.2 t -92.51 -4.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -118.0 -33.63 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.7 m -109.35 -27.97 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.806 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.3 m-70 -118.0 29.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.806 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.78 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.083 179.881 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 N-CA-C 112.487 -0.245 . . . . 0.0 112.487 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 16' ' ' THR . 25.8 tp60 -122.17 121.51 37.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.01 148.38 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -98.28 -31.21 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.7 mm -55.82 -70.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.58 -42.63 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.23 24.75 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.21 175.98 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.508 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -139.83 133.82 30.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.95 137.59 22.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -70.37 -55.38 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.41 152.25 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -74.98 -51.08 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.43 -50.84 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -62.21 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.9 -42.91 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.5 -58.19 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -55.45 -23.36 25.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 4.8 t60 -82.97 -18.17 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.41 -46.14 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -43.1 -39.47 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -60.39 -38.71 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.722 ' CG ' HG21 ' A' ' 12' ' ' ILE . 21.1 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.718 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.803 0.335 . . . . 0.0 110.925 . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.659 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.93 -24.79 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.659 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 60.7 m-85 -98.44 101.96 13.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.698 0.761 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.72 167.63 23.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 12.9 t -104.03 108.16 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.77 -1.1 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 19.1 m-85 -93.03 -56.26 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.34 -30.82 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.97 -6.29 15.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 17.9 mtpt -52.03 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.461 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 28.4 mtt-85 -145.83 137.87 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' VAL . 6.7 m-85 -126.77 158.05 37.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.15 -9.01 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.8 pttm -163.33 162.48 17.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.632 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.79 -44.53 2.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -42.84 -34.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -84.01 -31.79 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.95 -29.22 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.24 54.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.21 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 3.2 t60 -54.15 -35.26 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' HIS . 12.2 mtp-105 -68.12 -21.33 64.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.9 t -92.97 -5.3 51.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -117.99 -26.21 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 t -116.36 -29.1 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.99 29.16 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.876 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.2 mt -70.89 146.03 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -132.77 130.74 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -78.27 152.47 32.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.75 -34.87 9.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.715 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.0 mp -48.03 -61.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.48 -38.74 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.93 38.8 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -89.79 177.37 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.26 132.65 20.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.23 145.58 39.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -75.28 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -73.81 133.95 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 10.6 tttm -61.47 -54.55 41.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.89 -52.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -49.89 -44.46 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.19 -46.12 86.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.44 -53.92 47.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.5 t-105 -53.4 -28.24 28.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 8.9 t60 -85.34 -15.45 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -91.85 -40.11 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 23.7 ptt85 -50.73 -35.3 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 pttm -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.715 ' CG ' HG21 ' A' ' 12' ' ' ILE . 4.2 m-70 . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.864 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.535 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.2 OUTLIER . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.832 0.348 . . . . 0.0 110.891 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.407 ' O ' ' HD3' ' A' ' 40' ' ' PRO . 1.1 mpt_? -117.08 -31.61 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.2 m-85 -98.09 102.02 12.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.8 Cg_endo -69.73 172.67 12.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -105.65 107.18 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.06 0.02 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -92.97 -52.83 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.04 -37.41 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 128.85 -9.04 6.4 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' CYS . 34.5 mtpt -52.09 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.503 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 58.3 mtp85 -149.06 149.37 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.636 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.1 m-85 -138.3 152.98 49.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.6 pt-20 -60.72 -25.67 66.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -146.62 163.82 27.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 -43.49 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -43.51 -37.19 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.6 m -81.62 -29.24 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.5 t -70.79 -35.6 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.17 70.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.16 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -58.15 -34.5 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 41.3 mtt180 -75.65 -18.83 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 34.8 t -93.09 -11.81 32.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -117.96 -23.26 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.673 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -112.48 -29.92 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.826 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.1 m-70 -118.02 28.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.848 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.47 -0.252 . . . . 0.0 112.47 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.26 146.45 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -136.45 117.6 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.415 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.8 t -68.8 148.36 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.76 -32.71 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.587 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -48.71 -60.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -107.25 -37.68 6.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.27 37.38 1.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -91.38 174.82 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.55 132.25 25.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 23' ' ' LEU . 18.8 p -138.39 156.54 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -90.99 -55.83 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -77.96 126.89 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.27 -48.38 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.92 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -43.83 -44.33 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.55 HD13 ' SG ' ' A' ' 17' ' ' CYS . 8.4 tp -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.86 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -73.82 -24.25 59.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.0 t60 -88.18 -22.67 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 61.1 mt-30 -90.55 -41.6 11.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 36.4 ptt85 -40.56 -36.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -71.32 -39.05 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 48' ' ' PHE . 6.5 mt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.781 0.324 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.89 -20.75 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE2' ' HD3' ' A' ' 51' ' ' PRO . 51.5 m-85 -101.62 100.08 13.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.79 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 42.8 t -101.83 110.25 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.8 0.61 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.603 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 2.3 m-85 -95.36 -53.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -116.98 -34.72 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 123.08 -6.61 9.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 40.6 mtpt -51.98 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' HD13 ' A' ' 37' ' ' LEU . 49.3 mtm180 -145.01 138.41 26.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.642 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.1 m-85 -127.55 147.86 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.43 -10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.6 pttp -161.65 161.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.629 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.72 -42.62 3.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -43.18 -36.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -82.42 -29.63 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.618 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -71.87 -27.08 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.17 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.95 59.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.7 t60 -56.53 -38.82 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 15.0 mtm180 -71.49 -20.47 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 6.1 t -92.44 -7.37 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -117.97 -27.41 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.633 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.5 m -112.71 -30.33 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.791 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.98 30.84 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.874 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 16' ' ' THR . 9.3 mt -71.02 164.68 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.58 ' NE2' HG23 ' A' ' 16' ' ' THR . 22.1 tp60 -145.06 110.29 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.7 t -64.96 150.04 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.61 -30.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.811 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mp -55.38 -65.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.17 -37.99 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.54 28.0 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.67 175.29 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.58 HG23 ' NE2' ' A' ' 9' ' ' GLN . 2.1 p -142.48 133.97 26.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -150.89 143.51 24.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -79.44 -51.57 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.33 127.42 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.7 mmtt -63.14 -59.06 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -37.64 -47.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 m -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.23 -52.32 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -55.01 -37.77 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -71.45 -26.7 62.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -88.91 -15.75 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.5 -45.14 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -48.46 -32.03 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.34 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.811 ' CG ' HG21 ' A' ' 12' ' ' ILE . 12.1 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.615 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.895 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.02 -24.57 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 66.5 m-85 -99.4 101.99 14.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.1 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -104.51 110.62 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.22 2.41 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 3.4 m-85 -97.96 -52.9 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.84 -29.16 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.53 -4.2 19.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.511 ' NZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.8 mtpm? -52.01 -178.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 50.6 mtt-85 -147.34 138.75 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -129.43 160.85 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -11.91 60.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.2 ptpt -157.76 162.52 27.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.72 -40.42 5.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -37.46 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -79.37 -29.59 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -72.54 -36.33 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -37.32 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.55 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 3.4 t60 -55.69 -35.74 66.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.1 mtt180 -67.59 -22.56 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 52.6 m -93.15 -4.89 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -118.05 -24.54 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.664 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -118.03 -29.55 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.2 m-70 -118.0 29.35 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.74 -7.11 20.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.907 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.493 -0.243 . . . . 0.0 112.493 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 20' ' ' LYS . 6.0 mt -81.07 155.87 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' A' ' 16' ' ' THR . 30.5 tp60 -133.86 113.87 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -67.64 150.06 49.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -100.03 -35.06 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.916 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -46.58 -62.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 p -110.52 -38.04 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 32.22 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.76 175.94 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.5 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.4 p -146.52 134.15 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -130.55 169.19 15.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -97.93 -53.8 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -89.73 140.54 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.36 -54.68 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.06 -48.18 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -43.71 -62.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' HIS . 14.3 tp -42.97 -62.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -44.26 -42.91 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' TRP . . . . . 0.403 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 58.1 t-105 -62.46 -30.63 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.7 t60 -85.03 -48.75 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' HD13 ' A' ' 12' ' ' ILE . 63.8 mt-30 -56.34 -48.92 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 25' ' ' TRP . 15.5 ptp180 -43.56 -33.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -61.07 -40.76 94.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' HIS . . . . . 0.916 ' CG ' HG21 ' A' ' 12' ' ' ILE . 57.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.745 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.7 mt . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.83 0.348 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.69 -22.1 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 42.1 m-85 -100.74 102.01 17.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.663 0.744 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.0 Cg_endo -69.78 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 28.2 t -102.69 107.71 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.88 -0.97 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.6 m-85 -92.86 -52.67 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.88 -36.3 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 125.2 -6.14 8.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 21.6 mtpt -52.06 -179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 37' ' ' LEU . 38.3 mtp180 -145.92 130.79 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.2 m-85 -120.15 155.55 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -67.26 -20.82 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -149.03 161.24 33.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.53 0.681 . . . . 0.0 110.917 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.81 -42.84 3.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.88 -36.81 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 m -80.31 -29.08 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.89 -32.8 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.11 -40.14 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.77 -38.97 73.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.7 t60 -57.89 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 37.7 mtt180 -73.76 -20.42 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 5.1 t -92.91 -5.38 50.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 63' ' ' PRO . 11.1 pttm -117.98 -35.11 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -105.69 -27.77 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.816 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -118.0 29.41 0.13 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.713 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.79 -12.76 33.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.53 -0.228 . . . . 0.0 112.53 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.2 m -91.5 122.57 34.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.926 0.393 . . . . 0.0 110.856 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 m -89.76 144.92 25.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.15 -111.25 0.5 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.49 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.6 m -78.97 138.14 37.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.86 0.362 . . . . 0.0 110.87 -179.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 m -86.66 -57.99 2.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.911 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.82 154.31 23.88 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.466 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mt -71.28 148.81 46.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.822 0.344 . . . . 0.0 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.492 ' NE2' HG23 ' A' ' 16' ' ' THR . 30.9 tp60 -127.88 126.04 40.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.928 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.2 t -78.42 150.34 33.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -98.9 -30.85 12.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.904 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.651 HG21 ' CG ' ' A' ' 30' ' ' HIS . 39.6 mm -54.6 -69.54 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.098 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.8 p -101.14 -39.81 7.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 114.9 31.92 1.99 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.466 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -80.32 174.45 11.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.908 0.385 . . . . 0.0 110.891 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.492 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -144.06 132.04 21.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.152 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 20.3 p -141.27 148.78 40.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.901 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.463 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 1.4 mpt_? -79.42 -55.54 4.98 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 12.2 mm100 -74.35 139.05 43.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.861 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -60.13 -47.35 86.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.12 -52.9 8.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.114 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 61.2 m -43.51 -54.43 4.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.819 -179.746 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 12.3 tp -51.99 -55.69 18.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.938 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 58.8 m-80 -53.46 -52.36 59.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.889 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 8.7 t-105 -63.45 -26.85 68.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.936 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.41 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.1 t60 -83.93 -17.61 40.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.85 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -90.42 -38.33 13.36 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.901 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.7 ptm180 -47.43 -34.98 7.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.894 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 6.3 pttt -72.59 -38.1 67.95 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.872 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.798 ' O ' HG13 ' A' ' 34' ' ' VAL . 5.2 m-70 -53.88 -39.75 66.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.862 179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.653 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -53.47 -37.54 62.77 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.057 179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.482 ' HG3' ' N ' ' A' ' 33' ' ' THR . 3.5 pt-20 -88.28 -32.32 18.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 -179.913 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.482 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 24.9 m -66.18 -38.37 87.88 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.798 HG13 ' O ' ' A' ' 30' ' ' HIS . 27.3 m -39.8 -35.95 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.136 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.36 -50.2 72.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.07 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.455 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -43.43 -63.51 0.81 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.104 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.737 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.59 125.09 15.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.455 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.2 mpt_? -118.0 -31.05 5.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.837 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.583 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.9 m-85 -99.12 102.02 14.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.653 0.74 . . . . 0.0 110.879 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.83 170.04 17.6 Favored 'Trans proline' 0 C--O 1.232 0.22 0 C-N-CA 122.67 2.247 . . . . 0.0 112.334 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.486 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.0 t -104.71 106.4 16.88 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.847 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.419 ' CD ' ' H ' ' A' ' 42' ' ' GLU . 4.2 pm0 -66.69 -1.52 3.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.559 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -91.61 -51.66 5.14 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.863 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -117.93 -36.19 3.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.908 -179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 124.79 -8.87 8.13 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.425 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 41.0 mtpt -51.96 -178.27 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.797 0.332 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 40.6 mtt85 -148.91 143.62 26.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.878 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.62 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -132.0 156.0 47.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.855 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.24 -17.75 64.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.921 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.552 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 2.0 pttm -154.12 162.71 26.21 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.604 0.716 . . . . 0.0 110.867 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.583 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.8 -41.92 3.81 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.66 2.24 . . . . 0.0 112.322 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -44.68 -35.45 2.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.895 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.1 t -83.32 -29.65 28.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.62 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -72.53 -29.23 30.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.173 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.79 -38.19 58.47 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.099 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.64 -39.5 62.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.135 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.438 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 6.0 t60 -53.24 -36.52 61.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.813 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 23.9 mtp180 -68.65 -20.35 64.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.83 -179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 20.3 m -92.4 -4.55 53.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.837 -179.804 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.8 mmtp -117.98 -31.25 5.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.61 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.4 t -110.98 -30.17 7.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.874 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.8 m-70 -117.96 32.05 0.17 Allowed Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.568 0.699 . . . . 0.0 110.856 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.75 -9.01 25.07 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.716 2.277 . . . . 0.0 112.309 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.2 -11.54 21.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.094 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 51.2 mt -95.16 -46.52 6.74 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.89 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.467 HD12 ' HA ' ' A' ' 63' ' ' PRO . 5.8 mt -48.14 -50.02 30.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 17.8 mt -58.4 162.88 3.38 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -59.66 129.91 87.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.59 0.71 . . . . 0.0 111.088 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -175.74 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.634 2.223 . . . . 0.0 112.321 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' H ' ' CD ' ' A' ' 70' ' ' GLN . 5.7 pm0 -56.22 175.29 0.11 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.948 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.448 ' HG2' ' N ' ' A' ' 72' ' ' SER . 4.4 pm0 -42.63 -41.43 3.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.877 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.448 ' N ' ' HG2' ' A' ' 71' ' ' GLU . 72.5 m -67.13 107.65 2.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.839 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 2.9 t -61.03 175.42 0.52 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.834 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -155.64 159.32 29.15 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 108.45 2.08 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.677 2.251 . . . . 0.0 112.356 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 56.2 p -103.0 132.75 49.03 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.5 m -112.97 120.61 41.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.841 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.451 -179.983 . . . . . . . . 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 -0.348 0 N-CA-C 112.511 -0.236 . . . . 0.0 112.511 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.2 p -74.43 -44.02 53.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.828 0.347 . . . . 0.0 110.868 -179.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.9 p 52.05 39.55 26.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.35 50.77 0.88 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.462 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.9 t -140.2 113.1 8.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.843 0.354 . . . . 0.0 110.876 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.6 p -125.69 125.32 42.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.836 -179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -154.83 146.68 14.89 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.446 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.523 HD13 HD22 ' A' ' 23' ' ' LEU . 11.6 mt -71.15 159.12 35.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.811 0.338 . . . . 0.0 110.871 -179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.532 ' NE2' HG23 ' A' ' 16' ' ' THR . 26.5 tp60 -142.17 108.71 5.33 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.889 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.409 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.7 t -59.0 148.34 31.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.869 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 11.6 pt-20 -99.21 -31.99 11.44 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.581 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -50.85 -63.72 0.4 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.168 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.4 p -106.58 -40.47 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 116.99 33.25 1.4 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.486 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -80.97 175.08 10.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.956 0.408 . . . . 0.0 110.86 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.532 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -143.91 131.29 20.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.1 -179.935 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.0 p -144.91 142.19 29.66 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.908 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 7.6 mmt-85 -78.94 -47.25 16.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 77.3 mt-30 -76.55 127.87 33.65 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.907 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 16.7 tptm -54.86 -47.21 74.51 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.925 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.14 -45.54 53.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.128 179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.1 m -51.8 -45.05 63.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.883 -179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.523 HD22 HD13 ' A' ' 8' ' ' LEU . 13.8 tp -55.73 -52.07 65.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.903 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 89.6 m-20 -57.09 -50.56 72.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.402 ' CE3' ' HD3' ' A' ' 28' ' ' ARG . 64.3 t-105 -63.79 -25.46 68.19 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.4 ' O ' ' HG2' ' A' ' 29' ' ' LYS . 7.7 t60 -88.36 -18.7 27.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.422 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 77.3 mt-30 -87.33 -33.05 19.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.882 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.402 ' HD3' ' CE3' ' A' ' 25' ' ' TRP . 0.3 OUTLIER -64.29 -33.49 75.95 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.831 -179.889 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.4 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 5.0 pttp -63.93 -24.68 67.82 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.748 ' O ' HG13 ' A' ' 34' ' ' VAL . 29.9 m-70 -70.25 -23.85 62.98 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.896 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.661 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -75.3 -30.1 60.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.09 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.488 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.8 pt-20 -88.62 -33.92 17.47 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.543 ' O ' HD22 ' A' ' 37' ' ' LEU . 1.3 t -63.37 -31.69 72.91 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.083 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.748 HG13 ' O ' ' A' ' 30' ' ' HIS . 34.0 m -45.86 -36.05 2.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.125 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -47.12 -52.55 15.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.067 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -57.38 -67.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.102 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -53.25 129.06 30.31 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.923 -179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.3 mpt_? -117.95 -32.12 4.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.876 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.573 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.5 m-85 -98.5 101.98 13.22 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.627 0.727 . . . . 0.0 110.888 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.438 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.5 Cg_endo -69.69 171.21 14.8 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.699 2.266 . . . . 0.0 112.351 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.517 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.4 t -106.03 106.24 16.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -67.0 -0.77 3.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.914 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.59 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 4.0 m-85 -92.31 -52.44 4.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.856 -179.86 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -117.84 -36.0 3.76 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.93 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.65 -8.52 7.76 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.458 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' CYS . 30.0 mtpt -52.05 -179.54 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.735 0.302 . . . . 0.0 110.914 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.486 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 32.7 mtt-85 -147.48 144.48 28.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.5 m-85 -133.58 150.3 51.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.899 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -62.71 -18.11 61.91 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.891 -179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.546 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -151.33 163.13 24.7 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.579 0.704 . . . . 0.0 110.905 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.573 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.82 -48.57 0.68 Allowed 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.702 2.268 . . . . 0.0 112.288 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -41.25 -35.85 0.68 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.6 t -80.08 -31.08 39.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.24 -39.9 73.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.137 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -66.65 -38.25 86.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.1 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.78 -40.68 69.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.1 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -56.32 -33.11 65.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.855 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.8 mtt180 -74.22 -20.5 60.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 38.3 t -92.2 -8.22 46.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.826 -179.762 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.8 mttt -118.01 -26.83 6.3 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.903 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.624 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.5 t -111.52 -31.58 6.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.1 m-70 -117.98 32.12 0.17 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.604 0.716 . . . . 0.0 110.862 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.1 Cg_endo -69.75 -9.96 27.38 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.65 2.233 . . . . 0.0 112.36 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.79 -10.82 32.86 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.122 179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.0 mt -96.94 -52.92 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.9 mt -42.28 -51.18 4.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 76.8 mt -57.73 175.28 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.909 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -61.72 118.66 40.29 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.617 0.723 . . . . 0.0 111.116 179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 131.26 20.85 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.68 2.253 . . . . 0.0 112.357 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.5 tt0 -82.45 -48.15 11.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.942 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -118.95 151.6 37.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.892 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 19.4 t -66.22 122.47 17.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.828 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.9 t -136.0 136.62 40.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.835 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -75.34 156.74 48.92 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.51 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -34.11 15.14 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.669 2.246 . . . . 0.0 112.35 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 7.6 t -138.34 158.81 43.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.859 -179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 33.6 t -91.65 -62.17 1.48 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.827 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 CA-C-O 119.187 -0.785 . . . . 0.0 112.448 -179.963 . . . . . . . . 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 1.452 -0.296 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.4 t -57.1 137.18 56.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 0.0 110.876 -179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.4 t -125.59 114.94 19.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.848 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -107.39 -48.07 0.95 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.673 -0.775 . . . . 0.0 112.457 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -91.96 116.52 28.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 0.0 110.874 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.4 t -64.0 127.91 33.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.37 135.55 27.78 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.462 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.591 HD11 ' CD ' ' A' ' 20' ' ' LYS . 14.7 mt -72.5 148.41 45.08 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.823 0.344 . . . . 0.0 110.893 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.3 tt0 -136.11 124.17 22.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.957 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.425 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -72.09 148.56 45.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.884 -179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . 0.434 ' HG3' ' N ' ' A' ' 12' ' ' ILE . 7.2 pt-20 -99.57 -33.12 10.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.918 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.877 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -48.03 -60.38 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.093 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -109.39 -37.94 5.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.425 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.14 38.18 1.16 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.509 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 28.2 t80 -88.71 177.01 6.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.943 0.401 . . . . 0.0 110.898 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -146.06 133.72 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -144.21 137.88 27.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.874 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -69.07 -58.52 3.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.4 mm100 -71.57 139.34 49.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.591 ' CD ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -66.67 -56.89 8.57 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.891 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.99 -52.73 2.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.07 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 67.9 m -49.79 -46.78 51.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.868 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 50.7 tp -55.04 -55.74 27.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.946 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 55.8 m-20 -47.67 -42.3 24.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.888 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 22.1 t-105 -69.32 -27.12 65.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.928 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -85.35 -19.33 31.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.846 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.635 ' OE1' HD13 ' A' ' 12' ' ' ILE . 14.0 mm-40 -90.49 -40.28 12.1 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -52.42 -37.55 56.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.7 ptpt -61.65 -41.77 97.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.877 ' CG ' HG21 ' A' ' 12' ' ' ILE . 32.8 m-70 -52.88 -44.58 66.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.916 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.93 -28.36 3.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.101 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.3 mm-40 -95.2 -42.73 8.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 21.7 m -57.86 -42.35 84.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.163 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.767 HG13 ' O ' ' A' ' 30' ' ' HIS . 34.9 m -37.82 -34.07 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.131 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -39.39 -42.89 1.13 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.116 179.875 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.511 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -50.27 -68.01 0.21 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.749 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.83 125.82 18.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.511 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -117.96 -31.31 5.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.866 179.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.587 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.8 m-85 -97.99 101.97 12.39 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.659 0.742 . . . . 0.0 110.91 -179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.416 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.5 Cg_endo -69.77 171.66 14.07 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.341 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.505 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.8 t -104.81 109.94 22.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -68.46 1.37 3.1 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.1 m-85 -95.9 -57.57 2.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -111.61 -33.76 6.26 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.862 -179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.403 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 121.26 -8.11 10.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.476 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.425 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.1 mtpp -52.07 -179.68 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.819 0.342 . . . . 0.0 110.889 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 73.7 mtp85 -146.12 143.45 29.34 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.895 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.58 ' HB2' HG23 ' A' ' 54' ' ' VAL . 4.0 m-85 -131.6 153.83 49.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 -179.92 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.462 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 3.0 pt-20 -61.03 -20.22 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.904 -179.901 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.571 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.9 ptmt -155.3 165.08 19.06 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.576 0.703 . . . . 0.0 110.853 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.73 -43.88 2.42 Favored 'Trans proline' 0 C--N 1.341 0.158 0 C-N-CA 122.67 2.247 . . . . 0.0 112.349 179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -42.2 -37.39 1.45 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.833 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 29.8 m -82.04 -29.76 31.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.849 -179.766 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.58 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.5 -33.02 51.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.12 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.04 -39.43 72.31 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.107 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.2 -38.75 66.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.467 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -55.11 -33.88 63.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.484 ' O ' ' C ' ' A' ' 62' ' ' HIS . 20.3 mtp180 -73.69 -19.11 60.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.877 -179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.423 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 18.2 t -92.72 -6.84 48.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 -179.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 43.0 mtpt -118.02 -31.35 5.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.598 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.9 m -108.25 -31.47 7.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.846 -179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.76 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.1 m-70 -118.08 33.75 0.2 Allowed Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.644 0.735 . . . . 0.0 110.851 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.76 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.5 Cg_endo -69.72 -16.19 37.61 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.688 2.258 . . . . 0.0 112.365 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.04 -11.95 34.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.138 179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 90.5 mt -96.43 -52.84 3.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 HD11 ' O ' ' A' ' 58' ' ' ARG . 16.0 mt -40.75 -50.91 3.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.3 mt -57.36 174.6 0.19 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -74.68 124.72 89.86 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.564 0.697 . . . . 0.0 111.086 179.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -174.29 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.644 2.229 . . . . 0.0 112.358 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 12.3 tt0 -109.41 111.01 22.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.892 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 12.5 tt0 -143.54 125.77 15.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.3 t -49.49 -46.62 48.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.841 -179.769 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 94.1 p -163.13 153.77 16.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.865 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -113.1 121.15 5.44 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.489 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 179.84 3.45 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.661 2.24 . . . . 0.0 112.34 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 88.1 p -149.69 170.38 18.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.836 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 51.8 p -94.66 -43.62 8.19 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.464 -179.975 . . . . . . . . 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 -0.344 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.6 p -113.23 162.4 16.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.873 0.368 . . . . 0.0 110.833 -179.721 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 m -145.68 158.67 43.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.879 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.56 141.16 3.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.46 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.2 m -63.4 130.2 43.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.834 0.35 . . . . 0.0 110.871 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.6 m -69.93 -47.98 60.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.829 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.79 156.5 11.93 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.441 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 7.2 mt -75.46 160.59 30.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.78 0.324 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.543 ' NE2' HG23 ' A' ' 16' ' ' THR . 22.8 tp60 -136.9 118.66 15.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.899 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.8 t -73.43 149.05 42.7 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 14.2 pt-20 -98.48 -29.91 12.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.883 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.78 HG21 ' CG ' ' A' ' 30' ' ' HIS . 40.9 mm -56.12 -68.84 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.137 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.6 p -100.96 -41.13 6.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.904 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.47 29.76 2.21 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.469 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.3 t80 -78.52 175.02 10.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.866 0.365 . . . . 0.0 110.894 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.543 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -137.63 132.52 33.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.141 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.462 ' SG ' ' CB ' ' A' ' 22' ' ' SER . 3.4 t -146.48 148.21 32.0 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.877 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -82.87 -58.01 3.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.878 -179.871 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 14.4 mm100 -71.73 144.77 49.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' A' ' 21' ' ' ALA . 42.3 mmtm -70.18 -57.58 4.76 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.894 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.61 -42.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.824 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.462 ' CB ' ' SG ' ' A' ' 17' ' ' CYS . 18.5 m -62.45 -56.53 17.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 11.9 tp -46.67 -48.98 19.94 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -58.04 -54.37 47.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.839 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 9.3 t-105 -62.66 -26.12 68.48 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.928 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -83.04 -15.75 49.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 47.9 mt-30 -91.17 -47.16 7.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.918 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.2 ptp180 -50.17 -36.77 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 -179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.66 -40.2 82.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.924 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.78 ' CG ' HG21 ' A' ' 12' ' ' ILE . 35.4 m-70 -51.34 -45.8 62.45 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 179.903 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -43.16 -27.41 0.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.091 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -95.39 -38.99 10.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.825 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.439 ' O ' ' C ' ' A' ' 34' ' ' VAL . 22.6 m -61.77 -36.42 81.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.146 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.541 HG13 ' O ' ' A' ' 30' ' ' HIS . 35.4 m -34.13 -36.38 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.12 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -56.15 -50.29 71.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.097 179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.43 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -49.42 -40.14 35.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.132 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.809 HD13 ' O ' ' A' ' 47' ' ' ARG . 5.4 mt -68.29 114.6 6.89 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.928 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -117.86 -25.34 6.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.592 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 7.3 m-85 -98.56 102.01 13.38 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.673 0.749 . . . . 0.0 110.926 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.434 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.3 Cg_endo -69.81 170.7 16.03 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.622 2.215 . . . . 0.0 112.347 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.54 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 24.5 t -105.65 106.91 17.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.915 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -66.44 -0.6 2.81 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.573 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -93.23 -52.3 4.61 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.6 p -117.98 -35.77 3.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.906 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 124.65 -7.97 8.31 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.513 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.444 ' O ' ' N ' ' A' ' 41' ' ' CYS . 20.3 mtpt -52.16 179.77 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 0.0 110.907 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.809 ' O ' HD13 ' A' ' 37' ' ' LEU . 68.4 mtm180 -145.91 138.66 25.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.863 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.652 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.6 m-85 -126.89 156.18 41.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -12.62 61.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.592 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.7 ptpp? -157.14 159.98 30.82 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.577 0.703 . . . . 0.0 110.93 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.538 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.77 -41.23 4.44 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.697 2.265 . . . . 0.0 112.359 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -45.95 -37.8 6.89 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.879 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -79.63 -30.91 41.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.784 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.537 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -69.25 -30.53 46.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.168 179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.24 -37.54 61.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.075 179.888 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.54 -39.13 62.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.071 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.495 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.3 t60 -56.35 -34.07 66.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.841 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.468 ' NH2' ' CG1' ' A' ' 54' ' ' VAL . 59.4 mtt180 -72.49 -20.39 61.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.83 -179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.449 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 40.7 t -92.57 -7.13 48.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.0 mtpm? -117.99 -26.93 6.28 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.646 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.7 m -112.99 -30.39 7.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.843 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.797 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -117.99 30.74 0.15 Allowed Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.586 0.708 . . . . 0.0 110.904 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.797 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -12.41 32.81 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.654 2.236 . . . . 0.0 112.338 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -92.13 -10.85 37.37 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.114 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 91.7 mt -93.74 -50.27 5.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.901 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.476 HD12 ' HA ' ' A' ' 63' ' ' PRO . 6.6 mt -44.56 -50.25 9.72 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.909 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.483 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 3.9 tp -57.96 150.91 19.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.559 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -59.0 159.53 13.53 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.71 . . . . 0.0 111.064 179.828 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.559 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.1 Cg_endo -69.8 84.42 0.66 Allowed 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.337 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 20.7 mt-30 -97.1 -53.14 3.59 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.895 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 23.4 mm-40 -116.52 17.53 15.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.825 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' SER . 6.5 t -55.39 -49.91 71.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.777 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' SER . 83.2 p -37.9 -51.91 1.33 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.825 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -68.28 -177.89 13.98 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.513 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 131.51 21.42 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.655 2.237 . . . . 0.0 112.356 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 44.4 p -111.59 154.37 24.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.804 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 40.7 t -51.62 -47.19 63.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.913 -179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.438 179.967 . . . . . . . . 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 1.452 -0.287 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.0 t 63.3 42.24 7.1 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.729 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 43.5 t -108.45 158.17 17.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.854 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 85.82 77.32 1.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.505 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.6 p -103.2 132.44 49.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.855 0.36 . . . . 0.0 110.861 -179.721 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.0 m -40.13 -55.41 2.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.872 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.84 145.05 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.532 ' HB3' HD22 ' A' ' 23' ' ' LEU . 5.4 mt -73.63 164.12 27.08 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.887 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 11.0 tt0 -145.12 138.73 26.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -85.88 151.36 23.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.895 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -100.19 -32.47 10.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.901 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.8 mp -51.09 -61.71 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.122 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.4 p -107.27 -39.23 5.75 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.92 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 114.17 35.07 1.53 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.487 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -85.77 -179.82 6.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.912 -179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -140.44 135.02 31.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.114 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 34.5 m -141.63 131.3 24.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.873 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 86.7 mtm-85 -72.07 -42.74 65.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 43.8 mt-30 -88.45 125.42 34.73 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.477 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 13.8 tptt -50.01 -58.96 4.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.859 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.89 -42.56 1.35 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.9 t -59.29 -53.0 63.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.826 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.532 HD22 ' HB3' ' A' ' 8' ' ' LEU . 14.3 tp -51.37 -59.67 3.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -52.57 -47.42 66.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.874 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 10.2 t-105 -66.54 -26.45 67.15 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.1 t60 -80.37 -37.79 31.67 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.857 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 23.1 mt-30 -61.12 -57.7 11.44 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.3 ptp180 -40.64 -37.05 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 54.8 mttm -48.31 -44.57 34.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.901 ' CG ' HG21 ' A' ' 12' ' ' ILE . 84.8 m-70 -58.38 -37.43 75.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.868 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -58.0 -35.2 70.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 33' ' ' THR . 6.3 pt-20 -90.2 -34.27 15.88 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.46 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 21.4 m -66.37 -50.28 64.03 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.143 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.831 HG13 ' O ' ' A' ' 30' ' ' HIS . 28.7 m -34.87 -37.02 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.137 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.405 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -43.64 -63.88 0.76 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 179.82 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.452 ' O ' ' NH1' ' A' ' 38' ' ' ARG . . . -38.02 -47.25 1.08 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.73 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -86.59 127.75 34.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.95 -179.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.452 ' NH1' ' O ' ' A' ' 36' ' ' ALA . 0.1 OUTLIER -117.99 -29.55 5.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.902 179.918 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.593 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.4 m-85 -99.95 102.0 16.05 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.604 0.716 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.435 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.1 Cg_endo -69.8 174.27 9.79 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.664 2.243 . . . . 0.0 112.309 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.496 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -106.11 106.43 16.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 1.4 pm0 -65.58 -2.77 3.72 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.496 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 6.2 m-85 -91.2 -52.99 4.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.7 p -117.83 -31.46 5.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.903 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.446 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 118.75 -5.03 14.39 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.465 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.461 ' O ' ' N ' ' A' ' 41' ' ' CYS . 12.7 mtpp -53.57 -179.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.742 0.306 . . . . 0.0 110.93 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.487 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 49.8 mtt-85 -145.68 140.5 27.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.535 ' HB2' HG23 ' A' ' 54' ' ' VAL . 8.0 m-85 -128.7 156.61 43.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.59 ' N ' HD12 ' A' ' 37' ' ' LEU . 0.9 OUTLIER -70.88 -3.31 18.48 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.876 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.593 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 15.7 pttt -167.2 160.3 10.73 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.62 0.724 . . . . 0.0 110.885 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.562 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.72 -41.23 4.5 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.706 2.271 . . . . 0.0 112.313 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -45.11 -35.75 3.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.9 m -83.5 -29.87 27.61 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.871 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.535 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.69 -32.04 48.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.1 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.95 -37.33 58.76 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.35 -38.89 55.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.083 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.592 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 5.2 t60 -53.07 -37.77 61.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.811 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.506 ' O ' ' C ' ' A' ' 62' ' ' HIS . 25.4 mtp180 -67.12 -20.56 65.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.88 -179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.408 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 2.4 t -92.52 -3.73 54.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.792 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 21.5 mmtp -118.05 -30.75 5.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.848 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.651 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.3 m -112.68 -29.01 7.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.896 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.799 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.7 m-70 -117.99 30.28 0.15 Allowed Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.647 0.737 . . . . 0.0 110.904 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.799 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.72 -10.49 28.72 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.63 2.22 . . . . 0.0 112.376 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -95.18 -14.31 24.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.119 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 66' ' ' LEU . 65.3 mt -93.32 -55.7 3.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.473 HD12 ' HA ' ' A' ' 63' ' ' PRO . 6.3 mt -37.23 -42.31 0.45 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.96 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.484 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 4.2 tp -64.43 151.01 45.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.484 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -56.97 143.42 71.42 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.599 0.714 . . . . 0.0 111.058 179.837 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 146.51 60.13 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.685 2.257 . . . . 0.0 112.309 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.2 tt0 -109.6 129.28 55.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.889 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -58.27 111.48 1.23 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 5.9 t -151.94 161.02 43.31 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.857 -179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 59.9 p -102.0 111.03 23.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.857 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.409 ' HA2' ' HD2' ' A' ' 75' ' ' PRO . . . -133.35 114.26 1.35 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.51 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.409 ' HD2' ' HA2' ' A' ' 74' ' ' GLY . 54.0 Cg_endo -69.71 114.85 3.83 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.696 2.264 . . . . 0.0 112.387 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 82.8 p -90.73 138.38 31.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.2 t -53.89 -58.64 6.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.451 179.986 . . . . . . . . 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 -0.326 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -99.64 168.7 9.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.871 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.6 m -154.59 129.36 9.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.871 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.75 43.27 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.3 p -155.12 137.37 14.83 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.878 0.37 . . . . 0.0 110.848 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 78.4 p -156.67 125.83 6.04 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.833 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -105.93 140.02 14.99 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.813 -0.708 . . . . 0.0 112.474 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.1 mt -78.24 155.66 30.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.744 0.307 . . . . 0.0 110.895 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.517 ' NE2' HG23 ' A' ' 16' ' ' THR . 28.2 tp60 -128.27 116.19 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.943 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.442 ' SG ' ' HB ' ' A' ' 12' ' ' ILE . 42.6 t -62.93 116.08 4.97 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.875 -179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -82.04 8.25 11.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.904 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.736 HG21 ' CG ' ' A' ' 30' ' ' HIS . 36.6 mm -95.51 -53.36 8.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.15 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -115.63 -37.96 3.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 121.21 16.94 4.17 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.526 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 10.3 t80 -75.17 177.81 6.2 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.92 0.39 . . . . 0.0 110.852 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.517 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.2 p -142.82 139.0 30.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.144 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -154.19 122.44 6.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.891 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 18' ' ' ARG . 23.4 mtt-85 -61.85 -46.74 88.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.858 -179.835 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 10.2 mm100 -73.17 137.5 45.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.853 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 12.9 tptp -70.95 -57.73 4.28 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -45.04 -42.35 8.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.095 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 49.0 m -57.77 -49.0 78.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.86 -179.79 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 17.2 tp -57.25 -54.7 43.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.916 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 76.1 m-20 -51.07 -42.07 60.33 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.856 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.424 ' CD1' ' C ' ' A' ' 25' ' ' TRP . 4.8 t-105 -68.24 -27.11 66.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.926 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 9.6 t60 -89.78 -15.76 31.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 25.6 mt-30 -92.65 -36.13 13.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.7 ptt180 -55.47 -33.51 63.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.922 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 14.2 pttt -69.19 -35.35 76.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.905 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.736 ' CG ' HG21 ' A' ' 12' ' ' ILE . 16.1 m-70 -55.27 -40.15 70.65 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.828 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.416 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -58.82 -35.49 72.96 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.072 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -83.24 -36.38 24.63 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.873 -179.919 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 27.2 m -66.38 -50.61 62.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.645 HG13 ' O ' ' A' ' 30' ' ' HIS . 28.7 m -43.29 -36.53 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.114 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -56.81 -50.52 72.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.101 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -42.16 -64.12 0.64 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.099 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.755 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.17 128.0 23.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.948 -179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -117.45 -31.7 5.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.812 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.59 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.9 m-85 -99.47 102.1 15.39 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.638 0.732 . . . . 0.0 110.87 -179.896 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.442 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.8 171.57 14.27 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.366 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 14.7 t -105.95 105.66 15.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.892 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -66.4 -1.93 4.01 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.563 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.7 m-85 -90.7 -52.06 5.07 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.915 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.9 p -118.01 -36.12 3.69 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.55 -9.41 7.72 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.472 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.1 -179.25 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.758 0.313 . . . . 0.0 110.885 -179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.477 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 80.7 mtt85 -147.66 144.56 28.45 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.631 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.6 m-85 -132.69 152.81 51.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.859 -179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -63.35 -17.55 62.71 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.824 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.484 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.8 OUTLIER -153.59 162.8 25.73 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.603 0.716 . . . . 0.0 110.841 -179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.59 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.77 -41.46 4.25 Favored 'Trans proline' 0 C--N 1.342 0.209 0 C-N-CA 122.705 2.27 . . . . 0.0 112.308 179.907 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 t0 -44.98 -39.3 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.8 t -79.34 -28.18 42.06 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.884 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.631 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -73.1 -34.98 46.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.184 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.405 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -71.43 -38.21 71.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.084 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.58 -39.63 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.097 179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.466 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.8 t60 -55.29 -34.51 64.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.828 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.504 ' O ' ' C ' ' A' ' 62' ' ' HIS . 37.3 mtt180 -72.11 -20.86 61.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 12.6 t -92.18 -6.72 50.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.883 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 10.3 mtpt -117.95 -25.18 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.623 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -115.76 -31.21 5.88 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.848 -179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.786 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.93 32.32 0.17 Allowed Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.609 0.718 . . . . 0.0 110.863 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.786 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.77 -15.54 37.1 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.716 2.277 . . . . 0.0 112.33 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.28 -14.7 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.076 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.422 ' O ' ' C ' ' A' ' 66' ' ' LEU . 93.4 mt -91.35 -48.83 6.68 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.935 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.67 HD12 ' HA ' ' A' ' 63' ' ' PRO . 10.3 mt -35.76 -41.32 0.21 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.943 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.4 mp -56.16 177.79 0.06 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 70' ' ' GLN . . . -68.25 141.97 94.31 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.596 0.712 . . . . 0.0 111.076 179.8 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 9.76 0.56 Allowed 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.7 2.267 . . . . 0.0 112.307 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' H ' ' C ' ' A' ' 68' ' ' ALA . 23.0 tt0 -45.88 -49.96 14.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.915 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 26.4 mt-10 -137.65 112.09 8.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 m -133.32 174.85 9.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.838 -179.812 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 42.6 m -148.16 118.91 7.53 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -164.69 161.72 34.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 157.68 59.57 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 37.0 m -81.91 147.58 29.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 42.7 t 63.01 41.58 8.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.5 -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 -0.301 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 63.2 p -98.5 108.31 20.98 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 0.0 110.83 -179.728 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.7 t -97.26 131.39 44.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.844 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -74.29 -145.73 1.03 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.53 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.5 p -77.06 166.21 23.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.876 0.369 . . . . 0.0 110.888 -179.785 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -49.71 -51.42 38.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.882 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 77.87 139.78 1.37 Allowed Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.481 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.4 mt -74.27 151.9 39.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.732 0.301 . . . . 0.0 110.934 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.497 ' NE2' HG23 ' A' ' 16' ' ' THR . 24.1 tp60 -133.43 116.83 16.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.867 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.439 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.1 t -71.89 149.54 45.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.89 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -100.4 -31.93 11.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.832 -179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.936 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -51.7 -62.05 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.126 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.1 p -107.29 -38.01 6.09 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.86 30.83 2.88 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.492 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 43.4 t80 -83.56 174.52 10.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.951 0.405 . . . . 0.0 110.828 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.497 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.5 p -136.48 130.6 32.79 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.133 -179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.8 t -139.93 135.37 32.76 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.849 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -73.49 -45.65 52.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.875 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 42.8 mt-30 -81.55 141.31 33.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.2 tptm -72.76 -52.26 15.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.52 -42.67 5.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.109 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 3.1 m -61.37 -54.31 45.41 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.882 -179.791 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 19.1 tp -45.83 -50.86 13.77 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.93 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 30.0 m-80 -52.09 -54.26 32.48 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.849 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.52 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.0 t-105 -63.64 -26.12 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.928 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -82.64 -19.93 37.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 39.4 mt-30 -89.99 -37.86 14.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.88 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.4 ptm180 -59.86 -33.11 71.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.883 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 6.9 ptpt -63.74 -38.49 91.31 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.936 ' CG ' HG21 ' A' ' 12' ' ' ILE . 34.0 m-70 -52.04 -39.47 59.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.1 -45.85 65.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.11 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 33' ' ' THR . 8.9 pt-20 -81.27 -40.06 24.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.868 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 92.0 m -44.95 -50.99 10.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.135 -179.888 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.432 ' O ' ' C ' ' A' ' 35' ' ' ALA . 84.7 t -36.44 -56.74 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.122 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.432 ' C ' ' O ' ' A' ' 34' ' ' VAL . . . -34.54 -46.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.136 179.855 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.404 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -53.76 -68.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.074 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.689 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.16 123.72 11.31 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.911 -179.964 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.404 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mpt_? -117.91 -30.02 5.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.591 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 5.6 m-85 -99.49 101.99 15.05 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.677 0.751 . . . . 0.0 110.856 -179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 39' ' ' PHE . 54.4 Cg_endo -69.71 171.09 15.05 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.706 2.27 . . . . 0.0 112.347 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.497 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 16.9 t -104.95 107.75 18.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.889 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -67.01 -0.84 3.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.497 ' HB2' ' SG ' ' A' ' 41' ' ' CYS . 5.6 m-85 -92.87 -51.71 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -117.91 -35.46 3.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.908 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 123.44 -8.38 8.93 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 15.3 mtpp -51.99 -178.98 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.74 0.305 . . . . 0.0 110.935 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.453 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 47.9 mtt-85 -147.38 143.41 27.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.616 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.4 m-85 -131.75 154.2 49.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.863 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.3 pt-20 -62.33 -18.98 62.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.6 ptpt -155.42 163.94 22.89 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.577 0.703 . . . . 0.0 110.901 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.591 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.78 -43.3 2.72 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.665 2.243 . . . . 0.0 112.343 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -42.21 -37.53 1.5 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 58.6 m -82.15 -30.18 31.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.843 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.616 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -70.92 -26.54 27.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.102 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.44 -38.4 49.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.138 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.36 -39.89 62.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.073 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.529 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.11 -36.37 63.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.901 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.639 ' O ' HD11 ' A' ' 66' ' ' LEU . 10.5 mtp-105 -70.61 -20.31 62.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.86 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 4.3 m -93.51 -4.72 50.59 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 -179.814 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -117.87 -33.33 4.52 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.881 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.613 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -107.88 -29.31 9.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.82 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.79 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 95.2 m-70 -118.01 31.87 0.17 Allowed Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.6 0.714 . . . . 0.0 110.863 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.79 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.75 -7.93 22.3 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.67 2.247 . . . . 0.0 112.345 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -102.8 -11.62 18.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.106 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.502 HD12 ' HD1' ' A' ' 62' ' ' HIS . 27.9 mt -97.34 -53.45 3.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.888 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.639 HD11 ' O ' ' A' ' 58' ' ' ARG . 9.7 mt -36.71 -43.96 0.45 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.897 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -57.71 168.01 0.98 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.888 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.61 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -61.69 161.68 19.72 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.598 0.714 . . . . 0.0 111.085 179.743 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.61 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 54.0 Cg_endo -69.76 -168.46 0.27 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.596 2.197 . . . . 0.0 112.362 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.424 ' HG2' ' OE1' ' A' ' 71' ' ' GLU . 18.6 pt20 -39.87 -44.21 1.61 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . 0.435 ' O ' ' HG2' ' A' ' 71' ' ' GLU . 1.6 pm0 -76.17 117.77 18.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 11.7 t -75.35 155.11 36.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.833 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 26.9 p -67.57 170.82 7.02 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.896 -179.816 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -64.51 -116.68 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.524 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -36.89 9.88 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.671 2.247 . . . . 0.0 112.307 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 69.3 p -55.66 122.4 11.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.887 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 24.9 m -101.45 145.49 28.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.846 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.448 -179.986 . . . . . . . . 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 -0.329 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -114.31 119.58 37.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.909 0.385 . . . . 0.0 110.864 -179.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.6 m -127.46 144.5 51.05 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.829 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.61 51.5 0.54 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 90.2 p -130.56 177.49 7.34 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 0.0 110.901 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.7 m -79.47 113.58 17.73 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.898 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 168.95 139.68 2.76 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.474 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 9.3 mt -72.84 142.37 47.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.807 0.337 . . . . 0.0 110.906 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -133.51 127.74 33.86 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.437 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -77.1 150.27 35.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.86 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 16.4 pt-20 -100.37 -32.56 10.77 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.867 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.628 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.8 mp -48.64 -59.62 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 27.0 p -110.57 -38.03 5.3 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.877 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.437 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 112.57 41.34 1.04 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 20.4 t80 -90.57 174.97 7.23 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.933 0.397 . . . . 0.0 110.852 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -147.89 131.83 17.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.101 -179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.4 p -151.71 123.89 8.2 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -61.47 -44.03 97.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.853 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 57.3 mt-30 -71.95 119.62 16.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.901 -179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.7 tptm -57.0 -51.14 70.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.92 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -43.88 -49.72 8.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.099 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 34.1 m -52.46 -45.13 65.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.871 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.03 -59.96 3.95 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.954 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -47.21 -55.55 8.36 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.888 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 6.8 t-105 -58.42 -25.59 62.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 20.6 t60 -85.42 -22.12 28.47 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.882 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 90.3 mt-30 -88.09 -41.3 13.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.0 ptm180 -46.5 -39.02 10.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.485 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 15.6 pttt -69.52 -38.28 77.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.89 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.694 ' O ' HG13 ' A' ' 34' ' ' VAL . 6.7 m-70 -56.18 -39.7 72.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.856 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.456 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -54.29 -46.04 72.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.094 179.934 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HG3' ' N ' ' A' ' 33' ' ' THR . 11.0 pt-20 -78.64 -37.32 42.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 -179.93 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.479 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 85.3 m -62.85 -61.21 2.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.158 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.694 HG13 ' O ' ' A' ' 30' ' ' HIS . 26.9 m -32.17 -37.71 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.179 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -75.39 -60.28 2.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.122 179.836 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.51 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -34.49 -39.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.097 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.788 HD22 ' HA ' ' A' ' 48' ' ' PHE . 8.2 mt -59.17 120.78 9.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.51 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.0 OUTLIER -118.01 -30.57 5.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.902 179.879 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.601 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 7.2 m-85 -98.19 101.99 12.76 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.639 0.733 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.9 Cg_endo -69.75 172.53 12.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.681 2.254 . . . . 0.0 112.364 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.515 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.6 t -107.26 105.76 15.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.906 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -65.88 -2.2 3.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.586 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.7 m-85 -91.11 -51.92 5.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.905 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -117.87 -36.05 3.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 125.06 -9.75 7.9 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.524 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' CYS . 17.4 mtpp -52.71 -179.26 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.75 0.309 . . . . 0.0 110.91 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.495 ' O ' HD22 ' A' ' 37' ' ' LEU . 30.2 mtt-85 -146.57 143.82 29.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.883 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.788 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.5 m-85 -132.11 146.24 51.92 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.866 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.417 ' O ' ' NH1' ' A' ' 38' ' ' ARG . 1.3 pt-20 -54.86 -21.17 10.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.871 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -152.19 163.17 24.46 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.544 0.688 . . . . 0.0 110.937 179.929 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -43.61 2.54 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.712 2.274 . . . . 0.0 112.353 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -41.72 -39.61 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.899 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 37.6 m -79.97 -27.39 39.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -71.55 -32.49 46.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.494 . . . . 0.0 111.125 179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -73.18 -37.78 66.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.119 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.48 -39.3 64.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.063 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.437 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.2 t60 -56.5 -34.38 66.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.823 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.489 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 38.5 mtt180 -73.33 -19.13 61.09 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.876 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.418 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 75.2 m -92.6 -7.54 46.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.878 -179.785 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 65.2 mttm -118.02 -29.05 5.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.608 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.1 m -110.24 -31.35 7.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.77 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.99 33.03 0.19 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.558 0.694 . . . . 0.0 110.817 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.77 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.77 -9.52 26.31 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.725 2.284 . . . . 0.0 112.355 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -101.21 -10.19 20.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.115 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 66' ' ' LEU . 85.2 mt -95.44 -50.57 4.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.921 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD12 ' HA ' ' A' ' 63' ' ' PRO . 10.8 mt -36.34 -41.92 0.3 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.892 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 7.8 tp -52.31 151.9 3.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -51.96 150.02 8.34 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.555 0.693 . . . . 0.0 111.136 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 80.14 0.9 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.699 2.266 . . . . 0.0 112.33 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 1.8 mp0 -57.37 -38.34 74.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.927 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 61.75 36.7 16.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 15.0 m -65.88 -47.37 75.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.88 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 96.9 p -103.08 157.61 16.87 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.839 -179.831 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -105.61 89.51 0.63 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.488 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -12.12 32.19 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.667 2.244 . . . . 0.0 112.364 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 26.5 t -43.42 -42.63 4.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.845 -179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 18.5 t -58.77 133.63 56.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.838 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.502 -179.961 . . . . . . . . 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 -0.343 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -145.34 163.8 33.41 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.843 0.354 . . . . 0.0 110.871 -179.749 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.9 m -68.38 -62.12 1.54 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.864 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.58 117.63 6.24 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.501 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 m -87.35 -48.37 8.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.887 0.375 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 t -152.65 131.44 12.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.841 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.39 152.81 10.19 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.476 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 9.5 mt -80.65 148.69 30.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.952 -179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.471 ' NE2' HG23 ' A' ' 16' ' ' THR . 23.4 tp60 -122.54 120.83 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.873 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.9 t -71.35 152.38 43.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.829 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -99.27 -32.84 11.0 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.886 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.703 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -55.62 -68.9 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.141 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.3 p -100.7 -42.64 6.43 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.867 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 116.2 28.41 2.62 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.508 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -73.31 172.35 11.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.956 0.407 . . . . 0.0 110.85 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.471 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.9 OUTLIER -134.45 130.63 37.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.152 -179.903 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.497 ' SG ' HD13 ' A' ' 23' ' ' LEU . 29.8 p -143.22 132.95 23.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.875 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -68.7 -46.37 69.17 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.9 -179.888 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -79.95 156.36 27.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.953 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.471 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 0.8 OUTLIER -79.7 -52.04 8.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.871 179.961 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -42.25 -54.16 3.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.113 179.828 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 32.0 p -43.56 -48.77 7.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.497 HD13 ' SG ' ' A' ' 17' ' ' CYS . 12.1 tp -57.24 -52.77 63.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 4.3 m-80 -55.29 -46.93 76.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.928 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.472 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 1.2 t-105 -67.88 -32.25 72.61 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.898 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.482 ' ND1' ' HE3' ' A' ' 29' ' ' LYS . 7.8 t60 -81.75 -17.99 45.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.856 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 67.3 mt-30 -88.64 -36.46 16.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.918 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 2.6 ptm85 -59.65 -30.94 69.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.857 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.482 ' HE3' ' ND1' ' A' ' 26' ' ' HIS . 13.0 pttp -73.43 -35.37 65.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.703 ' CG ' HG21 ' A' ' 12' ' ' ILE . 3.9 m-70 -51.65 -40.57 60.23 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.862 179.906 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -52.75 -40.98 63.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.086 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 4.2 mp0 -82.95 -43.63 16.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.447 ' O ' ' C ' ' A' ' 34' ' ' VAL . 28.9 m -57.58 -58.59 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.09 -179.877 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.447 ' C ' ' O ' ' A' ' 33' ' ' THR . 7.8 p -33.62 -42.46 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.152 179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.441 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -75.31 -48.34 23.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.09 179.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -44.66 -34.04 2.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.123 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.717 HD22 ' HA ' ' A' ' 48' ' ' PHE . 3.8 mt -74.66 120.54 20.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.416 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -117.98 -28.73 5.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.912 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.596 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.0 m-85 -97.78 101.98 12.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.588 0.709 . . . . 0.0 110.888 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.444 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.4 Cg_endo -69.76 172.19 13.1 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.677 2.251 . . . . 0.0 112.323 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.51 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 15.4 t -105.88 106.86 17.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 pt-20 -65.91 -2.07 3.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.54 ' CZ ' HD23 ' A' ' 66' ' ' LEU . 11.7 m-85 -91.8 -53.1 4.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.901 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -118.01 -31.91 4.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 120.16 -6.09 12.08 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.464 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' A' ' 41' ' ' CYS . 6.0 mtpm? -52.12 -179.43 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.756 0.313 . . . . 0.0 110.898 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.543 ' O ' HD22 ' A' ' 37' ' ' LEU . 41.1 mtt180 -145.34 139.1 26.77 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.895 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.717 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.3 m-85 -129.35 147.99 51.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 36' ' ' ALA . 1.0 OUTLIER -57.49 -18.89 20.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.892 -179.907 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.582 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 3.9 ptpt -155.19 163.58 24.05 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.596 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.6 Cg_endo -69.78 -42.85 3.03 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.676 2.251 . . . . 0.0 112.344 179.899 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -43.55 -37.77 2.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.918 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 1.5 t -81.03 -27.34 35.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.63 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.02 -28.53 26.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.15 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.99 -37.68 58.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.11 179.866 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -76.0 -37.67 58.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.124 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.593 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -54.51 -34.83 62.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.833 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.584 ' O ' HD11 ' A' ' 66' ' ' LEU . 35.8 mtp180 -70.4 -19.86 62.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.902 -179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.406 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.0 t -92.84 -5.91 49.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.834 -179.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mmpt? -118.05 -28.47 5.86 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.622 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.6 m -112.77 -30.24 7.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.842 -179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.782 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.5 m-70 -118.08 31.72 0.17 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.595 0.712 . . . . 0.0 110.876 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.782 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.2 Cg_endo -69.82 -12.57 33.05 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.677 2.251 . . . . 0.0 112.309 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.98 -14.49 20.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.1 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.547 HD12 ' HD1' ' A' ' 62' ' ' HIS . 77.0 mt -95.12 -54.02 3.59 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.944 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.584 HD11 ' O ' ' A' ' 58' ' ' ARG . 11.9 mt -42.01 -51.1 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.908 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 12.1 mt -66.59 176.09 2.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.923 179.881 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.511 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -123.99 158.28 60.8 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.557 0.694 . . . . 0.0 111.121 179.816 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.511 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 54.2 Cg_endo -69.73 120.97 7.68 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.707 2.271 . . . . 0.0 112.353 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 27.5 tt0 -65.72 163.85 15.71 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.91 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 9.9 tp10 67.33 43.63 1.97 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.9 t -87.01 148.92 25.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 61.6 p -55.02 133.48 48.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.841 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -175.6 -144.04 4.86 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.51 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 133.37 25.36 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.721 2.281 . . . . 0.0 112.293 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 18.7 m -112.87 -35.51 5.43 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.837 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 13.4 m 62.09 42.8 9.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.873 -179.827 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.332 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.531 -179.951 . . . . . . . . 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 1.452 -0.292 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.7 m -101.18 150.93 22.44 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.914 0.388 . . . . 0.0 110.855 -179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 15.5 t -130.78 117.91 20.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.871 -179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -136.54 122.15 2.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.479 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 p -136.27 147.4 47.51 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.84 0.353 . . . . 0.0 110.91 -179.746 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.8 p -122.75 167.74 13.1 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.85 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.46 144.54 3.94 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.495 HD13 HD22 ' A' ' 23' ' ' LEU . 27.0 mt -75.86 160.92 29.44 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.828 0.346 . . . . 0.0 110.882 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.506 ' NE2' HG23 ' A' ' 16' ' ' THR . 26.4 tp60 -141.56 113.89 8.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.92 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.449 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.3 t -71.13 149.77 46.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.901 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.75 -30.6 11.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.475 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.7 mp -51.51 -60.5 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.076 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.6 p -111.24 -38.01 5.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.883 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.449 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.44 37.34 1.33 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.2 t80 -84.53 175.09 9.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.912 -179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.506 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.3 p -144.82 132.0 20.53 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.115 -179.89 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.439 ' SG ' HD12 ' A' ' 8' ' ' LEU . 14.6 p -140.73 146.6 37.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.902 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.467 ' HD2' ' N ' ' A' ' 18' ' ' ARG . 2.1 mpt_? -83.07 -44.87 14.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -87.02 124.88 33.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.475 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 14.2 tptm -49.21 -51.12 34.97 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.926 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.31 -51.13 8.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.085 179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 24.8 m -46.13 -45.05 16.25 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 -179.787 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.495 HD22 HD13 ' A' ' 8' ' ' LEU . 19.8 tp -54.74 -55.54 28.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.919 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 93.1 m-20 -47.82 -48.71 30.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.873 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.456 ' C ' ' CD1' ' A' ' 25' ' ' TRP . 3.7 t-105 -67.12 -26.42 66.68 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.916 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 10.0 t60 -83.31 -15.63 49.34 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 33.5 mm-40 -92.08 -42.11 10.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.95 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.0 ptm180 -50.47 -35.94 31.25 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.851 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -65.05 -41.32 95.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.874 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.475 ' CG ' HG21 ' A' ' 12' ' ' ILE . 20.7 m-70 -51.43 -44.45 62.32 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.827 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.514 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -52.85 -36.08 58.34 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.104 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.1 mt-10 -83.07 -39.29 21.37 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . . . . . . . . . 15.7 m -60.34 -51.94 67.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.14 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.514 HG22 ' O ' ' A' ' 31' ' ' ALA . 17.3 m -38.08 -37.45 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.174 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -48.55 -53.88 16.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -49.85 -47.93 51.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.135 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.751 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.0 mt -57.42 111.2 1.02 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.654 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.04 -22.31 7.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.937 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.654 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 62.9 m-85 -100.21 101.26 13.96 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.646 0.736 . . . . 0.0 110.926 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.426 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.9 Cg_endo -69.72 166.18 28.4 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.719 2.279 . . . . 0.0 112.347 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.4 t -101.35 108.52 20.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.855 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -66.95 0.83 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.952 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.551 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 10.3 m-85 -96.16 -59.12 1.91 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.865 -179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.3 p -110.6 -31.43 7.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.884 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.432 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 118.62 -5.23 14.6 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.453 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.426 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 29.5 mttp -52.12 -177.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.731 0.3 . . . . 0.0 110.927 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.72 ' O ' HD13 ' A' ' 37' ' ' LEU . 65.2 mtt180 -148.06 137.23 22.08 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.751 ' HA ' HD22 ' A' ' 37' ' ' LEU . 4.6 m-85 -127.34 156.44 41.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.871 -179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -68.09 -13.66 62.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.92 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.579 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 9.0 ptpt -158.55 161.94 27.57 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.59 0.71 . . . . 0.0 110.927 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.63 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 54.5 Cg_endo -69.72 -41.02 4.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.716 2.277 . . . . 0.0 112.364 179.881 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -45.01 -35.78 3.11 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.881 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 56.8 m -83.28 -30.8 27.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.572 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.88 -28.49 36.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.17 -40.13 53.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.117 179.844 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -73.71 -34.19 64.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.255 -0.43 . . . . 0.0 111.092 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.599 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 6.6 t60 -58.66 -32.7 69.33 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.502 ' O ' HD11 ' A' ' 66' ' ' LEU . 32.5 mtp180 -72.82 -20.34 61.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.87 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 9.3 t -92.82 -6.07 49.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 93.6 mttt -117.98 -30.56 5.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.599 ' HB2' ' CE1' ' A' ' 57' ' ' HIS . 3.8 m -109.92 -31.23 7.48 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.814 -179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.757 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -117.93 32.94 0.18 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.614 0.721 . . . . 0.0 110.877 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.757 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -12.7 33.37 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.646 2.231 . . . . 0.0 112.37 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.41 -11.31 21.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.085 179.88 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.58 HD12 ' HD1' ' A' ' 62' ' ' HIS . 72.5 mt -96.78 -44.08 7.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.502 HD11 ' O ' ' A' ' 58' ' ' ARG . 11.8 mt -47.76 -44.26 28.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.94 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.477 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 4.8 tp -61.13 151.43 31.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 179.856 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.561 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -64.28 159.72 55.77 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.598 0.713 . . . . 0.0 111.06 179.824 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.561 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.9 Cg_endo -69.79 -175.19 1.08 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.338 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 4.9 pt20 -161.71 168.08 23.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.933 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -69.71 127.16 31.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.85 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 59.9 p -157.75 121.24 4.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.84 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 86.6 p -95.13 113.33 25.01 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.834 -179.829 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.49 133.57 3.5 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.478 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 156.16 64.0 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.663 2.242 . . . . 0.0 112.368 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 67.9 p -58.58 169.47 0.93 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.897 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 49.1 p -87.84 17.44 4.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.874 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.136 -0.813 . . . . 0.0 112.46 -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 -0.346 0 N-CA-C 112.52 -0.232 . . . . 0.0 112.52 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.0 m -112.06 115.92 29.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 25.0 p -122.07 173.37 7.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.852 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -121.62 -171.69 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.5 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.3 m -66.48 136.48 55.75 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.878 0.371 . . . . 0.0 110.855 -179.734 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 27.0 t -48.87 -52.23 25.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.824 -179.828 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 64.03 148.71 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.483 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.552 HD13 HD22 ' A' ' 23' ' ' LEU . 18.1 mt -72.06 154.16 41.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.711 0.291 . . . . 0.0 110.914 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.501 ' NE2' HG23 ' A' ' 16' ' ' THR . 29.1 tp60 -135.7 114.8 12.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.949 179.916 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.443 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.3 t -69.68 147.41 50.62 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.883 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -99.83 -29.16 12.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.914 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.84 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.2 mp -52.98 -58.47 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.107 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.6 p -111.98 -37.96 4.94 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.443 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.33 35.28 1.63 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.485 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 22.5 t80 -88.71 177.05 6.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.977 0.417 . . . . 0.0 110.889 -179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.501 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.8 p -141.28 133.9 28.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.128 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 2.4 t -145.97 141.37 27.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.2 mpt_? -81.75 -48.86 11.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.847 -179.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.54 122.83 20.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.92 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.42 -54.64 41.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -50.76 -45.3 58.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.074 179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 63.3 m -53.48 -51.03 64.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.552 HD22 HD13 ' A' ' 8' ' ' LEU . 22.0 tp -47.23 -59.1 3.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.945 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 40.5 m-20 -45.62 -56.42 5.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.93 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 12.3 t-105 -55.82 -27.96 53.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.2 t60 -80.49 -16.22 54.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -90.69 -46.58 8.17 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.927 -179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.1 ptm180 -45.81 -37.64 6.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.848 -179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.66 -41.03 89.66 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.877 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.84 ' CG ' HG21 ' A' ' 12' ' ' ILE . 31.5 m-70 -51.1 -39.46 56.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.877 179.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.636 ' O ' HG13 ' A' ' 34' ' ' VAL . . . -58.35 -37.32 74.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.092 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 41.3 mm-40 -82.2 -33.7 29.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.888 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.58 ' O ' HG22 ' A' ' 33' ' ' THR . 13.1 m -80.45 16.06 1.45 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.171 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.636 HG13 ' O ' ' A' ' 31' ' ' ALA . 27.5 m -63.81 -25.98 39.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.135 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -63.1 -43.45 98.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.067 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.421 ' O ' ' HG3' ' A' ' 38' ' ' ARG . . . -42.92 -60.19 1.7 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.085 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.717 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.0 OUTLIER -58.83 127.18 30.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.906 -179.941 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.421 ' HG3' ' O ' ' A' ' 36' ' ' ALA . 3.2 mtp180 -117.98 -23.97 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.861 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.584 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 0.4 OUTLIER -111.87 102.03 52.74 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.679 0.752 . . . . 0.0 110.86 -179.896 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.408 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.6 Cg_endo -69.75 170.9 15.49 Favored 'Trans proline' 0 C--O 1.232 0.221 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.519 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 19.3 t -103.08 106.16 16.62 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -67.4 0.03 3.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.868 -179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.577 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.4 m-85 -93.09 -53.66 4.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.922 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 29.6 p -118.0 -32.26 4.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 122.33 -2.77 10.47 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.474 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' HD2' ' CE1' ' A' ' 57' ' ' HIS . 13.6 mttm -51.97 179.65 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.795 0.331 . . . . 0.0 110.88 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.529 ' HB3' ' CB ' ' A' ' 37' ' ' LEU . 59.4 mtm180 -150.8 138.67 19.92 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.835 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.488 ' HB2' HG23 ' A' ' 54' ' ' VAL . 13.6 m-85 -135.38 148.89 49.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -70.39 0.75 5.97 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.584 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 1.5 ptpp? -161.86 155.06 17.54 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.506 0.67 . . . . 0.0 110.931 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.501 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.79 -42.66 3.18 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.677 2.251 . . . . 0.0 112.314 179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -43.78 -37.92 2.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.879 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.472 ' HB3' ' CD2' ' A' ' 48' ' ' PHE . 4.0 m -80.45 -30.5 37.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.488 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.7 t -70.76 -31.65 46.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.14 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -77.16 -36.23 55.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.128 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.37 -38.41 63.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.511 ' CE1' ' HD2' ' A' ' 46' ' ' LYS . 5.8 t60 -55.74 -38.14 69.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.898 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.495 ' O ' ' C ' ' A' ' 62' ' ' HIS . 40.7 mtp180 -66.67 -20.16 65.92 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.873 -179.92 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.431 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 20.7 t -92.45 -4.24 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.859 -179.784 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.3 mmtp -117.93 -31.4 5.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.2 t -111.5 -28.89 7.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.899 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.808 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.96 29.86 0.14 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.566 0.698 . . . . 0.0 110.834 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.808 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.79 -8.09 22.71 Favored 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.727 2.285 . . . . 0.0 112.351 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.08 -13.25 27.04 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.111 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 71.7 mt -93.83 -53.51 3.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 63' ' ' PRO . 7.4 mt -40.01 -50.32 2.55 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 3.9 mt -73.59 175.52 7.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -57.87 145.9 69.59 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.579 0.704 . . . . 0.0 111.102 179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.76 3.14 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.681 2.254 . . . . 0.0 112.368 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 47.9 mm-40 -119.42 116.33 25.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.876 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -38.39 -44.33 0.9 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.854 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 66.8 m -76.34 158.5 31.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.862 -179.784 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.4 t -151.86 136.52 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.839 -179.768 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -91.29 136.78 13.5 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.514 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.75 171.06 15.14 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.254 . . . . 0.0 112.328 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 87.9 p -146.62 125.06 12.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.839 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 28.9 p -76.5 -34.55 58.61 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.817 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.499 -179.944 . . . . . . . . 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 -0.317 0 N-CA-C 112.428 -0.269 . . . . 0.0 112.428 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.3 t -67.93 111.1 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.897 0.38 . . . . 0.0 110.845 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -122.93 121.6 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.818 -179.8 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 80.54 88.64 0.55 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.457 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.5 p -139.11 167.75 21.37 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.867 0.365 . . . . 0.0 110.862 -179.761 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.5 t -69.91 175.57 4.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.6 137.31 3.63 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.526 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.407 ' O ' HG22 ' A' ' 16' ' ' THR . 4.0 mt -71.12 158.71 35.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.782 0.325 . . . . 0.0 110.906 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 9.1 tt0 -143.42 118.89 10.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.934 179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.407 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.6 t -64.18 150.54 45.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -99.34 -35.09 10.05 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.867 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.932 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -48.6 -65.16 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.137 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 26.4 p -102.25 -41.05 6.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.407 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.07 32.15 1.75 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.542 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 31.1 t80 -82.73 176.98 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.93 0.395 . . . . 0.0 110.85 -179.853 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.407 HG22 ' O ' ' A' ' 8' ' ' LEU . 1.1 p -145.22 134.04 22.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.177 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 55.6 m -138.06 122.08 17.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -56.42 -54.83 41.0 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.879 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 45.1 mt-30 -70.36 158.47 35.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.916 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 4.5 tppt? -76.49 -59.98 2.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.946 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -46.75 -48.05 20.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.138 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.4 p -42.39 -57.7 2.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.863 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 25.3 tp -51.41 -46.58 62.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.968 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -61.6 -42.67 99.2 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.92 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 33.8 t-105 -66.15 -22.78 66.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.915 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.57 ' ND1' ' CD ' ' A' ' 29' ' ' LYS . 1.8 t60 -90.21 -37.65 14.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -54.0 -17.19 2.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.944 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 ptp180 -77.74 -28.73 50.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.57 ' CD ' ' ND1' ' A' ' 26' ' ' HIS . 3.5 mtpm? -47.69 -53.95 13.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.932 ' CG ' HG21 ' A' ' 12' ' ' ILE . 30.5 m-70 -61.66 -45.89 92.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -48.31 -32.87 7.97 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -86.35 -44.66 11.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.906 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.521 HG22 HD11 ' A' ' 37' ' ' LEU . 19.7 m -59.06 -55.24 37.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.152 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.774 ' HA ' HD12 ' A' ' 37' ' ' LEU . 34.1 m -32.82 -35.15 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.143 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.496 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -55.59 -57.94 9.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.108 179.838 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.93 -34.62 78.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.12 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.774 HD12 ' HA ' ' A' ' 34' ' ' VAL . 5.6 mt -69.91 116.66 10.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.937 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -117.97 -28.96 5.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.922 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.595 ' CE1' ' HA ' ' A' ' 50' ' ' LYS . 1.5 m-85 -99.22 101.96 14.39 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.625 0.726 . . . . 0.0 110.884 -179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.7 Cg_endo -69.71 175.8 7.59 Favored 'Trans proline' 0 C--O 1.232 0.201 0 C-N-CA 122.678 2.252 . . . . 0.0 112.364 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.509 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 18.2 t -108.12 105.69 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.892 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -65.67 -1.53 2.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.575 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.9 m-85 -92.24 -53.02 4.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.906 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.8 p -118.0 -31.35 5.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 119.86 -7.27 12.05 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.536 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.465 ' O ' ' N ' ' A' ' 41' ' ' CYS . 13.8 mtpt -52.32 -179.08 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.788 0.328 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HA ' ' HA ' ' A' ' 40' ' ' PRO . 81.5 mtt-85 -146.77 140.21 25.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.895 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.639 ' HA ' HD22 ' A' ' 37' ' ' LEU . 2.2 m-85 -128.51 152.38 48.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.1 pt-20 -65.37 -10.85 36.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.947 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.595 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -159.13 161.41 27.94 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.578 0.704 . . . . 0.0 110.945 179.917 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.537 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.1 Cg_endo -69.75 -43.93 2.38 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.675 2.25 . . . . 0.0 112.364 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -42.93 -39.07 2.44 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.4 m -79.32 -29.06 42.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.878 -179.766 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.578 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -71.65 -32.92 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.097 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . 0.402 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . . . -74.84 -37.32 62.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.144 179.862 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.95 -38.39 61.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.085 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.455 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 7.5 t60 -57.08 -35.17 69.06 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.466 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 53.8 mtt180 -72.9 -19.46 61.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.878 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.414 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 7.8 t -92.63 -7.67 46.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.874 -179.775 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -117.99 -27.32 6.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.937 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.625 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 2.6 m -112.4 -30.57 7.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.847 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.787 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.0 m-70 -118.06 31.85 0.17 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.663 0.744 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.787 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.76 -14.05 35.55 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.719 2.279 . . . . 0.0 112.328 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.21 -14.06 25.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.096 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 84.0 mt -91.29 -51.09 5.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 63' ' ' PRO . 7.5 mt -38.49 -42.09 0.72 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 179.863 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 95.2 mt -57.14 170.28 0.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.934 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -101.42 149.5 36.41 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.575 0.703 . . . . 0.0 111.049 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -173.71 0.77 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.644 2.23 . . . . 0.0 112.348 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -58.81 113.5 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.925 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -71.02 134.31 47.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.928 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 63.7 p -153.69 167.1 30.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 12.6 m 52.32 39.54 27.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.434 ' C ' ' H ' ' A' ' 76' ' ' SER . . . 75.48 134.88 0.45 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.502 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.84 15.28 0.24 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.7 2.267 . . . . 0.0 112.343 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.434 ' H ' ' C ' ' A' ' 74' ' ' GLY . 58.5 m -37.62 -50.07 1.14 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.893 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -88.14 -56.05 3.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.492 -179.976 . . . . . . . . 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 -0.339 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.7 m -116.51 138.53 51.32 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.887 0.375 . . . . 0.0 110.887 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.5 p -136.02 172.29 13.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.821 -179.787 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 151.32 109.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.2 m -71.53 -54.78 9.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.877 0.37 . . . . 0.0 110.842 -179.735 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.5 t -64.83 -50.14 67.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.82 151.18 4.42 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.809 -0.71 . . . . 0.0 112.476 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.498 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 5.1 mt -71.3 162.3 29.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.75 0.309 . . . . 0.0 110.916 -179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 8.2 tt0 -156.57 128.51 7.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.912 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 1.1 t -74.1 151.47 40.12 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 18.3 pt-20 -98.33 -32.37 11.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.778 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.4 mp -53.59 -68.49 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.145 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.3 p -97.94 -44.08 6.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.885 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 117.86 35.02 1.09 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.47 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 9.4 t80 -78.87 173.66 12.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.896 0.379 . . . . 0.0 110.914 -179.876 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.448 HG22 ' O ' ' A' ' 8' ' ' LEU . 0.6 OUTLIER -147.23 132.68 18.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 -179.855 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.402 ' HB2' ' HB2' ' A' ' 23' ' ' LEU . 1.2 m -151.63 138.65 19.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.8 mmt85 -69.6 -55.76 9.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.855 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 80.4 mm-40 -69.35 121.81 17.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.962 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.498 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 5.7 tptp -58.89 -66.68 0.46 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.927 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -33.1 -38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.091 179.81 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.42 ' N ' ' O ' ' A' ' 20' ' ' LYS . 35.4 m -74.29 -48.62 27.32 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.883 -179.786 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.854 HD13 ' N ' ' A' ' 24' ' ' ASN . 0.2 OUTLIER -66.31 -55.32 16.6 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.922 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . 0.854 ' N ' HD13 ' A' ' 23' ' ' LEU . 27.2 m-20 -47.72 -48.35 29.61 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.9 t-105 -59.08 -29.46 67.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.945 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.478 ' C ' ' CD2' ' A' ' 26' ' ' HIS . 0.8 OUTLIER -74.49 -51.67 14.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.848 179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.443 ' N ' ' CD2' ' A' ' 26' ' ' HIS . 6.7 mt-30 -45.82 -37.88 6.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.937 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 1.1 ptm180 -77.3 -24.64 50.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' HIS . 3.8 ptpt -54.08 -29.66 45.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.778 ' CG ' HG21 ' A' ' 12' ' ' ILE . 94.0 m-70 -68.01 -43.25 79.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.851 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.562 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -43.21 -35.1 1.3 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.282 -0.417 . . . . 0.0 111.106 179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 22.6 mm-40 -85.34 -47.97 9.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.456 ' O ' ' N ' ' A' ' 35' ' ' ALA . 20.1 m -52.32 -49.98 63.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.164 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.562 HG22 ' O ' ' A' ' 31' ' ' ALA . 27.2 m -36.42 -31.67 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.142 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.456 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -44.05 -45.93 8.23 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.122 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.505 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -70.8 -67.79 0.48 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.091 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.704 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -54.72 124.33 16.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.505 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 0.9 OUTLIER -118.0 -29.62 5.57 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.864 179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.597 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 6.2 m-85 -98.79 101.96 13.6 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.679 0.752 . . . . 0.0 110.873 -179.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.414 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.0 Cg_endo -69.73 170.43 16.55 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.709 2.273 . . . . 0.0 112.363 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.474 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 10.6 t -105.96 108.14 19.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.867 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -67.6 -0.34 3.83 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.885 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.585 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 6.6 m-85 -92.51 -54.36 3.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.4 p -116.44 -32.25 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 120.9 -7.18 10.97 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.489 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.424 ' O ' ' N ' ' A' ' 41' ' ' CYS . 21.3 mtpp -52.13 -178.8 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.785 0.326 . . . . 0.0 110.884 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.44 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 30.0 mtp180 -148.22 144.4 27.66 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.844 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.561 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -132.55 158.47 42.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 -179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.02 -18.98 64.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.846 -179.905 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 4.7 ptpt -152.59 163.52 23.28 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.574 0.702 . . . . 0.0 110.876 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.597 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 53.3 Cg_endo -69.8 -39.58 6.28 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.711 2.274 . . . . 0.0 112.301 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -47.32 -35.8 8.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.863 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -82.24 -29.5 31.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.744 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.561 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -73.29 -33.37 40.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -72.7 -38.58 67.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.098 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.97 -38.84 61.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.109 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.557 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 7.3 t60 -54.58 -33.34 60.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.641 ' O ' HD11 ' A' ' 66' ' ' LEU . 22.9 mtp180 -73.13 -20.34 60.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.41 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 10.1 t -92.49 -9.49 41.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.845 -179.763 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -118.01 -22.72 7.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.866 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.582 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -115.04 -33.38 5.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.873 -179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.747 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.5 m-70 -118.04 34.28 0.2 Allowed Pre-proline 0 C--N 1.33 -0.239 0 CA-C-O 121.595 0.712 . . . . 0.0 110.827 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.4 Cg_endo -69.85 -12.26 32.37 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.716 2.278 . . . . 0.0 112.295 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.44 -14.24 26.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.266 -0.424 . . . . 0.0 111.127 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.414 ' O ' ' C ' ' A' ' 66' ' ' LEU . 97.3 mt -95.35 -57.15 2.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.912 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.641 HD11 ' O ' ' A' ' 58' ' ' ARG . 6.8 mt -37.15 -43.91 0.53 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.938 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.673 HD23 ' O ' ' A' ' 63' ' ' PRO . 4.1 mm? -57.14 173.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.911 179.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.522 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -80.91 158.86 69.84 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.589 0.709 . . . . 0.0 111.1 179.794 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.522 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.7 Cg_endo -69.73 162.06 43.52 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.716 2.278 . . . . 0.0 112.324 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 17.6 mm100 -47.29 -52.93 14.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 77.6 mm-40 -52.16 159.74 0.88 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 -179.923 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 33.7 t -62.19 139.08 58.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 3.3 t -164.09 175.91 9.8 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.864 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -109.84 162.27 12.73 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.5 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 87.53 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.652 2.234 . . . . 0.0 112.367 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 3.2 m -83.47 171.43 13.42 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.81 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 30.2 t -72.11 135.03 46.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.875 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 CA-C-O 119.165 -0.797 . . . . 0.0 112.491 -179.986 . . . . . . . . 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 -0.324 0 N-CA-C 112.466 -0.254 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 m -154.98 155.48 34.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.897 0.38 . . . . 0.0 110.866 -179.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.4 t -76.87 -56.74 4.33 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.6 -82.42 1.21 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t 67.07 42.58 2.34 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-O 120.836 0.35 . . . . 0.0 110.858 -179.717 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.1 p -100.27 119.92 39.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -123.63 159.77 18.23 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.495 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.481 ' HB3' HD22 ' A' ' 23' ' ' LEU . 14.5 mt -81.07 138.22 35.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.732 0.301 . . . . 0.0 110.955 -179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.503 ' NE2' HG23 ' A' ' 16' ' ' THR . 23.4 tp60 -113.73 130.11 56.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.925 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -77.72 151.66 34.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 -179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 17.3 pt-20 -98.62 -33.05 11.12 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.855 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.619 HG21 ' CG ' ' A' ' 30' ' ' HIS . 42.0 mm -56.19 -70.17 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.143 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -97.96 -44.71 6.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.894 179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.492 ' O ' ' NE2' ' A' ' 9' ' ' GLN . . . 118.91 25.85 2.68 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.476 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -74.48 174.39 9.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.968 0.413 . . . . 0.0 110.843 -179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.503 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -131.04 131.62 44.39 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.097 -179.886 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 44.9 m -142.33 129.77 21.26 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.0 mmm180 -67.99 -64.46 0.86 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.833 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 9.1 mm100 -73.15 134.38 44.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.473 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 19.8 tptm -54.74 -51.98 63.96 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -38.18 -59.89 0.82 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.266 -0.425 . . . . 0.0 111.093 179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 10.4 m -49.08 -54.03 17.84 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.844 -179.779 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.481 HD22 ' HB3' ' A' ' 8' ' ' LEU . 16.4 tp -52.97 -51.08 62.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.2 t-20 -54.63 -51.34 65.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 5.7 t-105 -64.85 -24.87 67.67 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.886 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -84.11 -15.29 47.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.284 -0.417 . . . . 0.0 110.827 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 46.3 mt-30 -91.38 -54.85 3.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 16.1 ptp180 -47.11 -33.86 5.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.846 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.401 ' HG3' ' N ' ' A' ' 30' ' ' HIS . 0.0 OUTLIER -62.88 -38.34 90.49 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.907 179.948 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.868 ' O ' HG13 ' A' ' 34' ' ' VAL . 32.0 m-70 -51.12 -43.23 61.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.48 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -54.04 -32.45 54.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.11 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -89.36 -40.84 12.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.519 ' O ' HD22 ' A' ' 37' ' ' LEU . 32.0 m -59.59 -46.85 87.71 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.113 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.868 HG13 ' O ' ' A' ' 30' ' ' HIS . 34.0 m -35.99 -29.76 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.145 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.503 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -70.18 -58.29 3.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.114 179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.45 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -34.11 -58.09 0.46 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.099 179.931 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.733 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.25 126.47 19.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.907 -179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.62 ' HG3' ' CE1' ' A' ' 39' ' ' PHE . 0.9 OUTLIER -117.94 -29.27 5.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.62 ' CE1' ' HG3' ' A' ' 38' ' ' ARG . 59.2 m-85 -98.2 102.01 12.82 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.62 0.724 . . . . 0.0 110.88 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.412 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 54.1 Cg_endo -69.78 170.06 17.48 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.642 2.228 . . . . 0.0 112.387 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 13.3 t -105.01 110.36 22.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.88 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 22.4 pm0 -69.78 1.8 3.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.895 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.609 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 21.6 m-85 -94.89 -52.78 4.1 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.837 -179.863 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.7 p -117.94 -36.35 3.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.887 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 126.29 -8.04 7.52 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.522 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.427 ' O ' ' N ' ' A' ' 41' ' ' CYS . 23.2 mtpt -52.3 -177.82 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.738 0.304 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.436 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 43.7 mtt180 -148.45 145.28 27.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.897 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.573 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.9 m-85 -134.06 153.48 51.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -62.8 -19.5 64.11 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.505 ' HA ' ' CD1' ' A' ' 39' ' ' PHE . 2.6 pttt -153.6 164.26 21.14 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.55 0.69 . . . . 0.0 110.917 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.601 ' HD3' ' CE1' ' A' ' 39' ' ' PHE . 53.4 Cg_endo -69.79 -45.95 1.39 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.708 2.272 . . . . 0.0 112.323 179.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 43.2 t0 -40.33 -38.07 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 70.5 m -80.68 -32.61 35.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.872 -179.795 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.573 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.6 t -68.15 -31.19 50.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.121 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.8 -37.47 59.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.119 179.869 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.84 -35.83 62.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.088 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 4.8 t60 -57.67 -34.43 69.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.501 ' NE ' ' CE1' ' A' ' 43' ' ' PHE . 48.0 mtp180 -67.55 -22.14 65.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.866 -179.876 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 43.6 m -93.35 -4.45 51.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.862 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.9 mmtp -117.01 -28.92 6.12 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.91 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -114.58 -28.02 7.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.876 -179.883 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.8 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -118.01 29.81 0.14 Allowed Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.612 0.72 . . . . 0.0 110.862 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.8 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.6 Cg_endo -69.74 -6.66 19.11 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.352 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -98.04 -18.77 18.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.101 179.874 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.753 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.5 OUTLIER -89.85 -48.29 7.34 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.879 -179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 24.7 mt -40.56 -46.3 2.48 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.7 mp -64.56 178.68 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.908 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.579 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -103.99 160.28 26.59 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.574 0.702 . . . . 0.0 111.126 179.799 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.579 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.79 107.39 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.709 2.273 . . . . 0.0 112.333 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.3 mm100 -91.8 135.09 34.17 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.936 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 2.3 pp20? -113.47 157.15 22.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 60.4 p -105.96 139.22 40.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.822 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 74.0 p -105.33 136.15 45.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.859 -179.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.55 157.53 25.07 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.502 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -174.45 0.9 Allowed 'Trans proline' 0 C--O 1.231 0.157 0 C-N-CA 122.734 2.289 . . . . 0.0 112.316 -179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 70.2 m -106.84 122.2 45.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.867 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 36.6 t -134.51 159.5 40.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.853 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.49 -179.946 . . . . . . . . 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 -0.349 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 m -128.32 136.55 51.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.804 0.335 . . . . 0.0 110.866 -179.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.1 m -84.06 130.65 34.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.904 -179.854 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.51 -40.02 1.72 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.467 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.9 t -38.31 -61.77 0.65 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.9 0.381 . . . . 0.0 110.906 -179.78 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -70.89 148.36 47.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 -179.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 101.25 166.16 27.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.46 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.529 HD12 ' O ' ' A' ' 17' ' ' CYS . 6.4 mt -70.83 155.23 41.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.75 0.31 . . . . 0.0 110.953 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.496 ' NE2' HG23 ' A' ' 16' ' ' THR . 28.7 tp60 -137.97 109.38 6.94 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.937 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.434 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 4.2 t -63.71 149.29 47.02 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 15.9 pt-20 -99.71 -33.71 10.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.871 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.744 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.1 mp -51.33 -61.97 0.62 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.116 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 31.4 p -105.53 -42.23 5.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.434 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 115.45 32.01 1.88 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.501 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 17.9 t80 -83.26 175.86 9.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.931 0.396 . . . . 0.0 110.874 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.496 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.1 p -139.91 134.51 31.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.14 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.529 ' O ' HD12 ' A' ' 8' ' ' LEU . 1.8 t -151.98 132.15 13.56 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.895 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.8 mmm180 -67.48 -57.64 6.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 51.6 mm-40 -72.62 124.01 24.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.424 ' O ' ' C ' ' A' ' 21' ' ' ALA . 18.6 tptm -59.12 -52.78 64.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.424 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -35.0 -58.17 0.53 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.075 179.813 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 22.1 m -55.21 -47.7 74.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 45.5 tp -51.65 -46.69 63.81 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.93 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 47.8 m-20 -55.01 -57.24 12.51 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 27.1 t-105 -57.98 -26.63 62.58 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.406 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 5.3 t60 -78.82 -14.92 58.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.844 179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.431 ' O ' ' N ' ' A' ' 30' ' ' HIS . 57.0 mt-30 -92.87 -46.29 7.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.936 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.5 ptm180 -41.76 -38.76 1.55 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.406 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.1 OUTLIER -63.93 -38.87 92.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.93 179.944 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.744 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 -53.93 -36.83 63.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.868 179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -53.86 -39.06 65.32 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.141 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HG3' ' N ' ' A' ' 33' ' ' THR . 9.0 pt-20 -90.17 -38.11 13.71 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.927 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.475 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 20.1 m -57.2 -49.57 75.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.125 -179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' HA ' ' CD2' ' A' ' 37' ' ' LEU . 3.8 p -39.92 -40.71 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.128 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' O ' ' C ' ' A' ' 36' ' ' ALA . . . -57.17 -54.46 46.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.116 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -35.68 -49.23 0.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.118 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.761 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -66.8 118.88 10.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.901 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.663 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.06 -26.49 6.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.838 179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.663 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 61.5 m-85 -97.1 102.0 11.08 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.592 0.71 . . . . 0.0 110.903 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.49 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.78 169.99 17.65 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.683 2.255 . . . . 0.0 112.367 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.52 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.0 t -107.49 109.13 20.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.882 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . 0.417 ' O ' ' HG3' ' A' ' 42' ' ' GLU . 4.8 tp10 -64.47 -15.93 61.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.574 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 12.6 m-85 -77.02 -57.52 3.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.876 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.7 -35.78 5.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 41' ' ' CYS . . . 122.02 -6.0 10.31 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.49 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 19.1 mtpp -52.04 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.819 0.342 . . . . 0.0 110.882 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.432 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 80.0 mtt180 -144.39 140.36 28.98 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.575 ' HB2' HG23 ' A' ' 54' ' ' VAL . 7.3 m-85 -129.43 157.67 41.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.837 -179.898 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.453 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.9 pt-20 -69.05 -12.15 61.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.895 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.577 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.7 pttm -161.04 162.7 21.89 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.537 0.684 . . . . 0.0 110.934 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.635 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.5 Cg_endo -69.76 -42.33 3.5 Favored 'Trans proline' 0 N--CA 1.465 -0.156 0 C-N-CA 122.717 2.278 . . . . 0.0 112.36 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -44.85 -34.05 2.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.848 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.9 m -84.95 -29.62 24.96 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.848 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.575 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.0 t -71.04 -28.66 33.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -76.32 -41.81 47.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.135 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -72.0 -39.23 69.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.111 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.598 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.1 t60 -52.14 -37.56 54.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.873 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.524 ' O ' HD11 ' A' ' 66' ' ' LEU . 37.2 mtp180 -68.05 -18.96 64.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.401 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 8.2 t -92.51 -4.34 53.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 25.5 mmmt -118.0 -33.63 4.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.7 m -109.35 -27.97 9.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.806 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.3 m-70 -118.0 29.94 0.14 Allowed Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.594 0.711 . . . . 0.0 110.833 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.806 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.78 -6.44 18.62 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.695 2.263 . . . . 0.0 112.35 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.97 -15.76 23.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.083 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.427 HD12 ' HD2' ' A' ' 43' ' ' PHE . 95.6 mt -96.19 -55.46 2.95 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.932 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.524 HD11 ' O ' ' A' ' 58' ' ' ARG . 10.3 mt -38.51 -44.81 0.98 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.953 179.865 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.6 tp -54.59 160.66 1.72 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.929 179.884 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -76.83 130.25 76.6 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.61 0.719 . . . . 0.0 111.096 179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 158.77 55.77 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.701 2.268 . . . . 0.0 112.295 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 42.2 tp60 -102.04 156.44 17.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.91 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -116.03 174.84 5.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.899 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 44.1 m -112.91 174.52 5.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.773 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 47.2 p -60.89 151.27 30.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.846 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 90.99 162.65 38.33 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.481 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 76' ' ' SER . 54.0 Cg_endo -69.77 -3.81 12.77 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.687 2.258 . . . . 0.0 112.341 -179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' PRO . 4.1 m -35.39 -42.43 0.21 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.809 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 46.8 t -110.06 123.11 49.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.826 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.146 -0.808 . . . . 0.0 112.496 179.989 . . . . . . . . 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 1.452 -0.26 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 3' ' ' SER . 8.0 t -141.93 112.43 7.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.849 0.357 . . . . 0.0 110.852 -179.743 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.407 ' C ' ' O ' ' A' ' 2' ' ' SER . 54.8 p -37.91 -42.0 0.58 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.836 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 163.44 122.49 0.61 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.522 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.2 m -80.81 175.42 10.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.837 0.351 . . . . 0.0 110.867 -179.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -146.38 172.14 13.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.871 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.04 143.02 4.0 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.487 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 5.7 mt -78.63 141.31 38.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.81 0.338 . . . . 0.0 110.861 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.508 ' NE2' HG23 ' A' ' 16' ' ' THR . 25.8 tp60 -122.17 121.51 37.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.916 179.89 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . . . . . . . . . 2.5 t -70.01 148.38 48.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 23.9 pt-20 -98.28 -31.21 12.17 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.858 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.722 HG21 ' CG ' ' A' ' 30' ' ' HIS . 41.7 mm -55.82 -70.42 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.149 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.4 p -98.58 -42.63 7.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . 120.23 24.75 2.62 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.696 -0.764 . . . . 0.0 112.491 -179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -71.21 175.98 4.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.954 0.407 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.508 HG23 ' NE2' ' A' ' 9' ' ' GLN . 0.8 OUTLIER -139.83 133.82 30.87 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.108 -179.911 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.8 t -147.95 137.59 22.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.933 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 10.7 mmm-85 -70.37 -55.38 9.26 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.897 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 26.1 mt-30 -84.41 152.25 24.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.898 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 10.1 tptm -74.98 -51.08 14.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.937 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -39.43 -50.84 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.123 179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 21.0 m -62.21 -49.99 73.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 15.0 tp -54.9 -42.91 72.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.927 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 6.4 t-20 -55.5 -58.19 8.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.877 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 34.8 t-105 -55.45 -23.36 25.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.934 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.416 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 4.8 t60 -82.97 -18.17 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -89.41 -46.14 8.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 -179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 6.6 ptm180 -43.1 -39.47 2.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.416 ' HE2' ' HA ' ' A' ' 26' ' ' HIS . 0.2 OUTLIER -60.39 -38.71 84.82 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.876 179.961 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.722 ' CG ' HG21 ' A' ' 12' ' ' ILE . 21.1 m-70 -54.77 -31.49 58.78 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.892 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.487 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -66.96 -31.74 72.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.096 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 33' ' ' THR . 3.6 pt-20 -88.89 -29.16 19.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.921 -179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.549 HG22 ' O ' ' A' ' 30' ' ' HIS . 0.8 OUTLIER -69.43 -24.84 63.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.139 -179.907 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.623 HG13 ' O ' ' A' ' 30' ' ' HIS . 23.1 m -45.98 -31.5 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . . . . . . . . . . . -53.12 -56.28 17.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 179.835 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -46.35 -62.44 1.35 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.081 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.718 ' N ' HD13 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -56.53 118.74 5.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.925 -179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.659 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.93 -24.79 6.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 179.937 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.659 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 60.7 m-85 -98.44 101.96 13.08 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.698 0.761 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.419 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.2 Cg_endo -69.72 167.63 23.83 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.691 2.261 . . . . 0.0 112.334 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.5 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 12.9 t -104.03 108.16 19.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.91 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 pt-20 -66.77 -1.1 3.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.86 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.578 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 19.1 m-85 -93.03 -56.26 3.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 25.6 p -114.34 -30.82 6.47 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.854 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 117.97 -6.29 15.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 17.9 mtpt -52.03 -179.38 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.753 0.311 . . . . 0.0 110.927 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.461 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 28.4 mtt-85 -145.83 137.87 25.32 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.904 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.562 ' HB2' HG23 ' A' ' 54' ' ' VAL . 6.7 m-85 -126.77 158.05 37.57 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -71.15 -9.01 57.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.572 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 1.8 pttm -163.33 162.48 17.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.608 0.718 . . . . 0.0 110.882 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.632 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.79 -44.53 2.0 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.715 2.276 . . . . 0.0 112.35 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -42.84 -34.33 0.92 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.881 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 49.0 m -84.01 -31.79 25.28 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.845 -179.744 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.562 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -69.95 -29.22 39.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.13 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.88 -40.24 54.91 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.19 -37.21 64.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.606 ' CE1' ' CB ' ' A' ' 61' ' ' SER . 3.2 t60 -54.15 -35.26 62.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.479 ' O ' ' C ' ' A' ' 62' ' ' HIS . 12.2 mtp-105 -68.12 -21.33 64.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.861 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.409 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 19.9 t -92.97 -5.3 51.0 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.849 -179.757 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.8 mmmm -117.99 -26.21 6.5 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.657 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.1 t -116.36 -29.1 6.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.884 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.0 m-70 -117.99 29.16 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.605 0.717 . . . . 0.0 110.89 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -4.84 14.85 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.663 2.242 . . . . 0.0 112.355 -179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -99.96 -19.03 16.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.112 179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.707 ' N ' HD12 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -89.73 -54.71 3.94 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.465 ' CD2' ' NH2' ' A' ' 58' ' ' ARG . 8.7 mt -38.91 -51.2 1.77 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.896 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 11.2 mp -57.96 176.86 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.919 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -92.68 111.95 53.39 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.598 0.713 . . . . 0.0 111.093 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 138.65 38.41 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.728 2.285 . . . . 0.0 112.327 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -65.38 158.8 25.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.884 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -55.14 104.34 0.12 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.925 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 12.5 t -119.86 143.25 48.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.882 -179.815 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 4.2 t -93.31 115.37 27.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.828 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 122.38 172.57 14.09 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.501 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 87.27 0.55 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.698 2.265 . . . . 0.0 112.302 -179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 60.9 p -86.74 -57.4 3.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.859 -179.866 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.4 p -131.85 118.38 19.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.478 -179.941 . . . . . . . . 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 -0.324 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.5 t -77.72 -44.92 26.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.928 0.394 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.4 t -83.15 135.1 34.92 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 -179.796 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.48 84.01 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.8 m -146.54 137.11 23.95 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.917 0.389 . . . . 0.0 110.802 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.3 p -146.28 118.22 8.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.854 -179.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.5 156.96 22.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.509 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.444 ' CD1' ' HA ' ' A' ' 20' ' ' LYS . 6.2 mt -70.89 146.03 49.84 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.782 0.325 . . . . 0.0 110.938 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 13.0 tt0 -132.77 130.74 40.31 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.431 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.4 t -78.27 152.47 32.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 10.7 pt-20 -100.75 -34.87 9.66 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.715 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.0 mp -48.03 -61.44 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.12 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 28.2 p -107.48 -38.74 5.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.431 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.93 38.8 1.36 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.475 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 19.4 t80 -89.79 177.37 6.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.937 0.399 . . . . 0.0 110.879 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -145.26 132.65 20.68 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.18 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 1.6 t -139.23 145.58 39.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.901 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.6 mmm180 -75.28 -58.39 3.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -73.81 133.95 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.922 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.444 ' HA ' ' CD1' ' A' ' 8' ' ' LEU . 10.6 tttm -61.47 -54.55 41.87 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.89 -52.53 8.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.105 179.808 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 60.9 m -49.89 -44.46 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 29.1 tp -58.19 -46.12 86.36 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.905 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -54.44 -53.92 47.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.884 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.476 ' CD1' ' O ' ' A' ' 25' ' ' TRP . 3.5 t-105 -53.4 -28.24 28.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.909 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.434 ' HA ' ' NZ ' ' A' ' 29' ' ' LYS . 8.9 t60 -85.34 -15.45 43.22 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.834 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 87.2 mt-30 -91.85 -40.11 11.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.477 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 23.7 ptt85 -50.73 -35.3 30.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.886 -179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.477 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 2.2 pttm -72.84 -36.57 67.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.715 ' CG ' HG21 ' A' ' 12' ' ' ILE . 4.2 m-70 -56.34 -42.25 77.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.855 179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -47.18 -29.18 2.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.111 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.3 mm-40 -83.78 -40.91 18.17 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.512 ' O ' ' N ' ' A' ' 35' ' ' ALA . 62.7 m -55.12 -30.67 60.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.179 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.44 ' C ' ' O ' ' A' ' 33' ' ' THR . 11.3 m -34.35 -32.04 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.144 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.512 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -41.38 -53.32 3.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.148 179.845 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.477 ' O ' ' NE ' ' A' ' 38' ' ' ARG . . . -50.63 -69.49 0.11 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.07 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.702 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.2 OUTLIER -54.33 131.93 42.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.891 -179.912 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.477 ' NE ' ' O ' ' A' ' 36' ' ' ALA . 1.1 mpt_? -117.08 -31.61 5.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.825 179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.616 ' CZ ' ' HD3' ' A' ' 51' ' ' PRO . 8.2 m-85 -98.09 102.02 12.69 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.631 0.729 . . . . 0.0 110.873 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' HA ' ' A' ' 47' ' ' ARG . 53.8 Cg_endo -69.73 172.67 12.18 Favored 'Trans proline' 0 C--O 1.232 0.198 0 C-N-CA 122.672 2.248 . . . . 0.0 112.355 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.551 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -105.65 107.18 18.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -68.06 0.02 4.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.92 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.613 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 5.2 m-85 -92.97 -52.83 4.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.881 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.8 p -118.04 -37.41 3.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.906 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 128.85 -9.04 6.4 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' O ' ' N ' ' A' ' 41' ' ' CYS . 34.5 mtpt -52.09 -176.79 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.768 0.318 . . . . 0.0 110.913 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.503 ' C ' ' CD1' ' A' ' 48' ' ' PHE . 58.3 mtp85 -149.06 149.37 30.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.846 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.636 ' HB2' HG23 ' A' ' 54' ' ' VAL . 2.1 m-85 -138.3 152.98 49.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.893 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.481 ' N ' HD12 ' A' ' 37' ' ' LEU . 1.6 pt-20 -60.72 -25.67 66.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 39' ' ' PHE . 0.1 OUTLIER -146.62 163.82 27.35 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.594 0.711 . . . . 0.0 110.866 179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.616 ' HD3' ' CZ ' ' A' ' 39' ' ' PHE . 54.0 Cg_endo -69.73 -43.49 2.65 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.679 2.253 . . . . 0.0 112.396 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -43.51 -37.19 2.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.848 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.6 m -81.62 -29.24 33.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.837 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.636 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.5 t -70.79 -35.6 61.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.101 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.66 -38.17 70.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.103 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -71.79 -38.16 70.31 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.081 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . . . . . . . . . 11.9 t60 -58.15 -34.5 70.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.853 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.48 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 41.3 mtt180 -75.65 -18.83 59.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.87 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.474 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 34.8 t -93.09 -11.81 32.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 9.1 mtmp? -117.96 -23.26 7.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.921 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.673 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -112.48 -29.92 7.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.893 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.826 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 96.1 m-70 -118.02 28.84 0.13 Allowed Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.604 0.716 . . . . 0.0 110.873 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.826 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.77 -8.1 22.75 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.701 2.268 . . . . 0.0 112.356 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.4 -14.22 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.109 179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 85.7 mt -93.28 -47.07 7.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' A' ' 63' ' ' PRO . 8.9 mt -47.06 -45.75 21.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.917 179.884 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 9.6 mp -64.97 153.15 41.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.882 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.586 ' HB1' ' HD2' ' A' ' 69' ' ' PRO . . . -74.65 160.22 81.5 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.567 0.698 . . . . 0.0 111.099 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.586 ' HD2' ' HB1' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.78 172.92 11.77 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.67 2.247 . . . . 0.0 112.352 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 18.5 pt20 -97.5 162.97 13.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.894 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -76.93 106.79 8.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 32.1 p -154.45 175.33 13.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.814 -179.792 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 6.0 t -65.14 149.64 49.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.873 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 111.72 169.94 18.62 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.789 -0.72 . . . . 0.0 112.463 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -165.61 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.664 2.243 . . . . 0.0 112.333 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 40.9 t -79.34 -43.36 23.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.83 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 97.0 p -85.29 -57.32 3.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.831 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.474 -179.976 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.3 m -96.83 175.59 6.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.883 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 t -109.24 142.15 40.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.854 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.54 166.49 21.05 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.529 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.5 t -150.68 155.53 39.53 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 0.0 110.87 -179.743 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.3 m -58.96 147.34 34.65 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.862 -179.825 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -150.77 142.12 9.3 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.47 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -71.26 146.45 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.762 0.315 . . . . 0.0 110.958 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -136.45 117.6 14.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.415 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 1.8 t -68.8 148.36 50.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.855 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 pt-20 -99.76 -32.71 10.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.892 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.587 HG21 ' CG ' ' A' ' 30' ' ' HIS . 3.9 mp -48.71 -60.17 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.173 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.3 p -107.25 -37.68 6.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.415 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 111.27 37.38 1.65 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.487 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 30.3 t80 -91.38 174.82 7.18 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.931 0.396 . . . . 0.0 110.855 -179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -141.55 132.25 25.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.873 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . 0.55 ' SG ' HD13 ' A' ' 23' ' ' LEU . 18.8 p -138.39 156.54 47.5 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.888 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.0 mmt85 -90.99 -55.83 3.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 41.5 mm-40 -77.96 126.89 31.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 3.9 tppp? -47.27 -48.38 24.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -44.91 -53.92 7.06 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.149 179.812 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 12.4 t -43.83 -44.33 6.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.872 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.55 HD13 ' SG ' ' A' ' 17' ' ' CYS . 8.4 tp -62.44 -42.73 99.67 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 83.1 m-20 -63.86 -44.06 94.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 55.0 t-105 -73.82 -24.25 59.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.443 ' HA ' ' HE2' ' A' ' 29' ' ' LYS . 8.0 t60 -88.18 -22.67 23.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.911 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.469 ' NE2' ' HG ' ' A' ' 23' ' ' LEU . 61.1 mt-30 -90.55 -41.6 11.29 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.914 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.453 ' HG3' ' N ' ' A' ' 29' ' ' LYS . 36.4 ptt85 -40.56 -36.62 0.6 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.86 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . 0.453 ' N ' ' HG3' ' A' ' 28' ' ' ARG . 0.5 OUTLIER -71.32 -39.05 71.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 -179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.587 ' CG ' HG21 ' A' ' 12' ' ' ILE . 18.5 m-70 -53.34 -36.2 61.07 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.845 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -56.65 -42.36 78.78 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.106 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.463 ' HG3' ' N ' ' A' ' 33' ' ' THR . 4.1 pt-20 -81.38 -33.56 32.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.898 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.463 ' N ' ' HG3' ' A' ' 32' ' ' GLU . 90.0 m -64.44 -55.5 20.45 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.157 -179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 35' ' ' ALA . 7.7 p -41.47 -41.74 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.141 179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.416 ' N ' HG13 ' A' ' 34' ' ' VAL . . . -62.99 -54.49 37.48 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.102 179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' O ' ' HA ' ' A' ' 49' ' ' GLU . . . -45.53 -36.4 4.55 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.096 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.642 HD22 ' HA ' ' A' ' 48' ' ' PHE . 6.5 mt -74.15 114.81 12.91 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.899 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.621 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.89 -20.75 8.67 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 180.0 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.629 ' CE2' ' HD3' ' A' ' 51' ' ' PRO . 51.5 m-85 -101.62 100.08 13.28 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.639 0.733 . . . . 0.0 110.906 -179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.445 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.7 Cg_endo -69.79 166.93 25.96 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.7 2.267 . . . . 0.0 112.326 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.542 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 42.8 t -101.83 110.25 22.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.882 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -68.8 0.61 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.89 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.603 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 2.3 m-85 -95.36 -53.64 3.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 27.3 p -116.98 -34.72 4.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.865 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.414 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 123.08 -6.61 9.39 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.494 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.445 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 40.6 mtpt -51.98 179.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.758 0.313 . . . . 0.0 110.891 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' O ' HD13 ' A' ' 37' ' ' LEU . 49.3 mtm180 -145.01 138.41 26.74 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.642 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.1 m-85 -127.55 147.86 50.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.885 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 36' ' ' ALA . 0.6 OUTLIER -61.43 -10.52 7.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 -179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.591 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.6 pttp -161.65 161.76 21.92 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.555 0.693 . . . . 0.0 110.866 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.629 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.8 Cg_endo -69.72 -42.62 3.29 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.707 2.271 . . . . 0.0 112.337 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -43.18 -36.42 1.72 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.814 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.1 t -82.42 -29.63 30.62 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.866 -179.756 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.618 HG23 ' HB2' ' A' ' 48' ' ' PHE . 2.1 t -71.87 -27.08 26.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.145 179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -75.91 -40.17 54.84 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.074 179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -75.99 -34.95 59.75 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.067 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.413 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 9.7 t60 -56.53 -38.82 72.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.471 ' O ' ' C ' ' A' ' 62' ' ' HIS . 15.0 mtm180 -71.49 -20.47 62.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.85 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.445 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 6.1 t -92.44 -7.37 47.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.779 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 52.9 mttt -117.97 -27.41 6.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.873 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.633 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.5 m -112.71 -30.33 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.816 -179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.791 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 99.5 m-70 -117.98 30.84 0.15 Allowed Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.584 0.707 . . . . 0.0 110.834 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.791 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.9 Cg_endo -69.79 -9.82 27.02 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.708 2.272 . . . . 0.0 112.338 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -94.44 -10.35 32.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.126 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.499 HD12 ' CD1' ' A' ' 43' ' ' PHE . 91.7 mt -95.46 -55.53 3.01 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.1 mt -38.87 -45.27 1.14 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.963 179.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.485 ' HG ' ' N ' ' A' ' 68' ' ' ALA . 5.2 tp -64.29 152.07 42.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.951 179.828 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.485 ' N ' ' HG ' ' A' ' 67' ' ' LEU . . . -63.7 150.96 89.71 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.589 0.709 . . . . 0.0 111.114 179.792 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 153.06 69.46 Favored 'Trans proline' 0 N--CA 1.465 -0.154 0 C-N-CA 122.728 2.286 . . . . 0.0 112.358 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.39 112.88 17.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.966 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 3.1 pp20? -94.58 138.61 32.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 43.9 t -153.65 138.7 17.3 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.837 -179.83 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 29.3 p -69.24 127.99 35.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -158.16 -131.54 1.3 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.452 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 88.64 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.677 2.251 . . . . 0.0 112.313 -179.89 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 36.4 t -93.59 -49.85 5.69 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.87 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 70.6 m -83.59 119.31 24.58 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.869 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.345 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.506 -179.966 . . . . . . . . 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 N--CA 1.451 -0.338 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -130.64 149.18 52.42 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.904 0.383 . . . . 0.0 110.832 -179.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 60.0 p -92.18 136.57 33.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.843 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.36 145.94 10.77 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.513 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 66.1 m -87.64 165.76 15.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.906 0.384 . . . . 0.0 110.851 -179.698 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.1 t -97.54 160.36 14.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 109.3 132.36 6.48 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.454 ' O ' HG22 ' A' ' 16' ' ' THR . 9.3 mt -71.02 164.68 25.06 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.766 0.317 . . . . 0.0 110.924 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.58 ' NE2' HG23 ' A' ' 16' ' ' THR . 22.1 tp60 -145.06 110.29 5.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.946 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.416 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 2.7 t -64.96 150.04 48.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.895 -179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -99.61 -30.4 12.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.811 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.6 mp -55.38 -65.74 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.12 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 29.7 p -102.17 -37.99 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.416 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 113.54 28.0 3.39 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.495 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 18.8 t80 -76.67 175.29 9.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.953 0.406 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.58 HG23 ' NE2' ' A' ' 9' ' ' GLN . 2.1 p -142.48 133.97 26.51 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.155 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 0.7 OUTLIER -150.89 143.51 24.41 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.832 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 40.5 mtm180 -79.44 -51.57 9.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 39.1 mt-30 -71.33 127.42 32.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.939 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.401 ' O ' ' C ' ' A' ' 21' ' ' ALA . 38.7 mmtt -63.14 -59.06 5.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.401 ' C ' ' O ' ' A' ' 20' ' ' LYS . . . -37.64 -47.28 0.94 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.792 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.1 m -58.03 -47.24 83.68 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.827 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 13.3 tp -53.23 -52.32 59.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 51.5 m-80 -55.01 -37.77 67.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.878 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . . . . . . . . . 2.6 t-105 -71.45 -26.7 62.84 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.935 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -88.91 -15.75 33.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.862 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . . . . . . . . . 73.5 mt-30 -91.5 -45.14 8.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.959 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 5.1 ptm180 -48.46 -32.03 7.18 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.922 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -68.76 -38.34 80.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.859 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.811 ' CG ' HG21 ' A' ' 12' ' ' ILE . 12.1 m-70 -52.75 -43.92 66.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.869 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.493 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -44.29 -42.1 6.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.086 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 52.0 mm-40 -77.76 -40.25 41.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.918 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 35' ' ' ALA . 85.7 m -59.84 -21.71 61.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.104 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.586 ' HA ' HD23 ' A' ' 37' ' ' LEU . 34.3 m -37.43 -29.18 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.129 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.472 ' N ' ' O ' ' A' ' 33' ' ' THR . . . -59.8 -59.9 4.7 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.42 ' C ' ' O ' ' A' ' 35' ' ' ALA . . . -36.6 -61.58 0.52 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.089 179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.721 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.1 OUTLIER -52.51 121.96 8.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 -179.946 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.636 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -118.02 -24.57 7.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.636 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 66.5 m-85 -99.4 101.99 14.87 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.626 0.727 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.461 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 54.1 Cg_endo -69.71 170.11 17.28 Favored 'Trans proline' 0 C--O 1.232 0.205 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.507 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 35.3 t -104.51 110.62 22.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.865 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -70.22 2.41 3.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.852 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 3.4 m-85 -97.96 -52.9 3.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.862 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 28.9 p -117.84 -29.16 5.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.856 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . . . . . . . . . . . 116.53 -4.2 19.65 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.498 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.511 ' NZ ' ' CZ ' ' A' ' 48' ' ' PHE . 5.8 mtpm? -52.01 -178.71 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.775 0.322 . . . . 0.0 110.889 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.455 ' C ' ' HB3' ' A' ' 37' ' ' LEU . 50.6 mtt-85 -147.34 138.75 23.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.855 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.576 ' HB2' HG23 ' A' ' 54' ' ' VAL . 1.8 m-85 -129.43 160.85 31.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.932 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.2 -11.91 60.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.891 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.561 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 6.2 ptpt -157.76 162.52 27.0 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.583 0.706 . . . . 0.0 110.894 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.624 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.9 Cg_endo -69.72 -40.42 5.41 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.703 2.269 . . . . 0.0 112.315 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -48.4 -37.46 17.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 2.2 t -79.37 -29.59 42.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.81 -179.723 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.576 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.9 t -72.54 -36.33 53.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.156 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -71.56 -37.32 71.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.107 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -74.23 -38.55 63.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.589 ' CE1' ' HB3' ' A' ' 61' ' ' SER . 3.4 t60 -55.69 -35.74 66.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' O ' ' C ' ' A' ' 62' ' ' HIS . 46.1 mtt180 -67.59 -22.56 65.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.42 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 52.6 m -93.15 -4.89 51.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.767 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 37.0 mmtt -118.05 -24.54 7.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.664 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 1.3 t -118.03 -29.55 5.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.828 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.812 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 98.2 m-70 -118.0 29.35 0.13 Allowed Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.57 0.7 . . . . 0.0 110.86 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.812 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 54.2 Cg_endo -69.74 -7.11 20.21 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.685 2.256 . . . . 0.0 112.367 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -97.39 -19.69 18.3 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.081 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.749 ' N ' HD12 ' A' ' 65' ' ' LEU . 0.6 OUTLIER -87.88 -44.53 11.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.923 -179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.576 HD12 ' HA ' ' A' ' 63' ' ' PRO . 15.2 mt -42.21 -45.47 4.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.911 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.9 mp -57.47 178.06 0.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . 0.434 ' HA ' ' HD2' ' A' ' 69' ' ' PRO . . . -88.51 109.32 28.29 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.606 0.717 . . . . 0.0 111.108 179.776 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD2' ' HA ' ' A' ' 68' ' ' ALA . 53.4 Cg_endo -69.83 108.36 2.07 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.688 2.259 . . . . 0.0 112.348 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -89.78 121.92 32.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.885 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -165.79 166.82 17.48 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.885 -179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 1.8 t -102.87 127.87 49.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.833 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 97.9 p -145.87 161.22 40.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.815 -179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . 0.427 ' HA2' ' HD2' ' A' ' 75' ' ' PRO . . . -132.96 100.67 0.41 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.508 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . 0.427 ' HD2' ' HA2' ' A' ' 74' ' ' GLY . 54.5 Cg_endo -69.72 177.68 5.31 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.729 2.286 . . . . 0.0 112.351 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 4.1 m -85.61 -60.15 2.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.872 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.2 t -149.73 161.29 42.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.849 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.269 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.473 -179.967 . . . . . . . . 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 1.451 -0.315 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 p -144.86 127.67 16.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.917 0.389 . . . . 0.0 110.856 -179.764 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.2 t -140.6 143.89 35.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.874 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.91 62.13 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.47 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 m -102.66 109.06 20.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.876 0.37 . . . . 0.0 110.871 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.8 t -84.8 127.22 34.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.51 144.54 47.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.493 -179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.605 HD11 ' HA ' ' A' ' 20' ' ' LYS . 6.0 mt -81.07 155.87 26.1 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 0.0 110.903 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' NE2' HG23 ' A' ' 16' ' ' THR . 30.5 tp60 -133.86 113.87 12.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.96 179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' CYS . . . . . 0.433 ' O ' ' HA2' ' A' ' 14' ' ' GLY . 0.6 OUTLIER -67.64 150.06 49.24 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.901 -179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -100.03 -35.06 9.83 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.916 HG21 ' CG ' ' A' ' 30' ' ' HIS . 4.3 mp -46.58 -62.71 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.155 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' CYS . . . . . . . . . . . . . 30.2 p -110.52 -38.04 5.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.846 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 10' ' ' CYS . . . 116.99 32.22 1.58 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.76 175.94 10.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.938 0.399 . . . . 0.0 110.866 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.5 HG23 ' NE2' ' A' ' 9' ' ' GLN . 1.4 p -146.52 134.15 21.03 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.136 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 87.4 m -130.55 169.19 15.91 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.913 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 13.2 mmt85 -97.93 -53.8 3.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLN . . . . . . . . . . . . . 27.7 mt-30 -89.73 140.54 29.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.903 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.605 ' HA ' HD11 ' A' ' 8' ' ' LEU . 0.1 OUTLIER -50.36 -54.68 19.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 179.923 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -48.06 -48.18 33.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.14 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -43.71 -62.39 1.12 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.856 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 26' ' ' HIS . 14.3 tp -42.97 -62.7 0.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.923 179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 -44.26 -42.91 6.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' TRP . . . . . 0.403 ' HA ' ' NE ' ' A' ' 28' ' ' ARG . 58.1 t-105 -62.46 -30.63 71.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.968 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 23' ' ' LEU . 6.7 t60 -85.03 -48.75 8.91 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.86 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLN . . . . . 0.462 ' HG2' HD13 ' A' ' 12' ' ' ILE . 63.8 mt-30 -56.34 -48.92 75.79 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.918 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.403 ' NE ' ' HA ' ' A' ' 25' ' ' TRP . 15.5 ptp180 -43.56 -33.59 1.19 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.854 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' LYS . . . . . . . . . . . . . 56.1 mttm -61.07 -40.76 94.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' HIS . . . . . 0.916 ' CG ' HG21 ' A' ' 12' ' ' ILE . 57.6 m-70 -54.55 -47.65 72.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.866 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . -76.45 -54.11 7.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.066 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.9 mm-40 -53.37 -34.56 58.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.862 -179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' THR . . . . . 0.9 ' CG2' ' HB3' ' A' ' 36' ' ' ALA . 2.3 m -130.06 102.0 6.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.15 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.556 HG12 ' O ' ' A' ' 30' ' ' HIS . 35.7 m -117.99 -32.2 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 37' ' ' LEU . . . -108.83 -37.98 5.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.081 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.9 ' HB3' ' CG2' ' A' ' 33' ' ' THR . . . -38.13 -27.39 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.097 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.745 HD22 ' HA ' ' A' ' 48' ' ' PHE . 10.7 mt -58.74 110.82 1.08 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.9 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ARG . . . . . 0.628 ' HG2' ' CD2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -117.69 -22.1 8.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.873 179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PHE . . . . . 0.628 ' CD2' ' HG2' ' A' ' 38' ' ' ARG . 42.1 m-85 -100.74 102.01 17.75 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.663 0.744 . . . . 0.0 110.907 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' PRO . . . . . 0.441 ' HA ' ' O ' ' A' ' 46' ' ' LYS . 53.0 Cg_endo -69.78 167.36 24.68 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.7 2.267 . . . . 0.0 112.285 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . 0.539 ' SG ' ' HB2' ' A' ' 43' ' ' PHE . 28.2 t -102.69 107.71 18.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.887 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -66.88 -0.97 3.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.9 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' PHE . . . . . 0.588 ' HB3' ' CE1' ' A' ' 62' ' ' HIS . 7.6 m-85 -92.86 -52.67 4.49 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.858 -179.916 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' CYS . . . . . . . . . . . . . 26.5 p -117.88 -36.3 3.68 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.863 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' GLY . . . . . 0.423 ' H ' ' HB3' ' A' ' 41' ' ' CYS . . . 125.2 -6.14 8.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.448 179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.441 ' O ' ' HA ' ' A' ' 40' ' ' PRO . 21.6 mtpt -52.06 -179.29 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.784 0.326 . . . . 0.0 110.893 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.584 ' O ' HD22 ' A' ' 37' ' ' LEU . 38.3 mtp180 -145.92 130.79 18.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.843 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.745 ' HA ' HD22 ' A' ' 37' ' ' LEU . 3.2 m-85 -120.15 155.55 32.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' GLU . . . . . 0.423 ' HB3' HG21 ' A' ' 33' ' ' THR . 1.0 OUTLIER -67.26 -20.82 65.71 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.891 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' LYS . . . . . 0.602 ' HA ' ' CE2' ' A' ' 39' ' ' PHE . 0.0 OUTLIER -149.03 161.24 33.03 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.53 0.681 . . . . 0.0 110.917 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' PRO . . . . . 0.587 ' HD3' ' CE2' ' A' ' 39' ' ' PHE . 53.7 Cg_endo -69.81 -42.84 3.01 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -45.88 -36.81 5.64 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 57.9 m -80.31 -29.08 38.13 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.884 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 48' ' ' PHE . 1.8 t -70.89 -32.8 49.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.123 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ALA . . . . . . . . . . . . . . . -74.11 -40.14 62.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.081 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ALA . . . . . . . . . . . . . . . -70.77 -38.97 73.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.086 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' HIS . . . . . 0.558 ' CE1' ' HB2' ' A' ' 61' ' ' SER . 3.7 t60 -57.89 -32.66 67.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.889 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.558 ' HG2' ' CD2' ' A' ' 43' ' ' PHE . 37.7 mtt180 -73.76 -20.42 60.5 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.916 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.433 ' O ' ' HB3' ' A' ' 63' ' ' PRO . 5.1 t -92.91 -5.38 50.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' C ' ' HD3' ' A' ' 63' ' ' PRO . 11.1 pttm -117.98 -35.11 3.96 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.923 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.656 ' C ' ' HD2' ' A' ' 63' ' ' PRO . 3.7 m -105.69 -27.77 11.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.873 -179.901 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.816 ' N ' ' CD ' ' A' ' 63' ' ' PRO . 97.2 m-70 -118.0 29.41 0.13 Allowed Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.596 0.713 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' PRO . . . . . 0.816 ' CD ' ' N ' ' A' ' 62' ' ' HIS . 53.5 Cg_endo -69.79 -12.76 33.49 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.712 2.275 . . . . 0.0 112.306 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ALA . . . . . . . . . . . . . . . -93.77 -14.25 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.261 -0.427 . . . . 0.0 111.107 179.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.437 HD12 ' HD1' ' A' ' 62' ' ' HIS . 85.5 mt -91.73 -50.25 5.84 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.918 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 9.7 mt -45.64 -41.75 10.59 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.951 179.887 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 10.1 mp -80.44 173.75 12.29 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ALA . . . . . . . . . . . . . . . -60.46 125.74 82.91 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.612 0.72 . . . . 0.0 111.08 179.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.6 Cg_endo -69.72 124.07 10.74 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.706 2.271 . . . . 0.0 112.397 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 5.5 tp-100 -113.0 113.8 25.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -147.57 107.48 4.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.887 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' SER . . . . . . . . . . . . . 14.6 m -97.5 -55.79 2.72 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 -179.804 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' SER . . . . . . . . . . . . . 41.4 t -58.08 -65.14 0.69 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.83 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -129.58 141.53 12.7 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.488 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 -16.21 37.22 Favored 'Trans proline' 0 C--O 1.231 0.143 0 C-N-CA 122.709 2.272 . . . . 0.0 112.305 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' SER . . . . . . . . . . . . . 29.1 t -142.29 103.27 4.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.91 -179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.0 t -80.35 -44.22 19.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.897 -179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.483 179.991 . . . . . . . . 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_